The chemical properties of peptide medicines, known as the ‘medicinal peptide space’ is
considered a multi-dimensional subset of the global peptide space, where each dimension represents a
chemical descriptor. These descriptors can be linked to biofunctional, medicinal properties to varying
degrees. Knowledge of this space can increase the efficiency of the peptide-drug discovery and development
process, as well as advance our understanding and classification of peptide medicines.
For 245 peptide drugs, already available on the market or in clinical development, multivariate dataexploration
was performed using peptide relevant physicochemical descriptors, their specific peptidedrug
target and their clinical use. Our retrospective analysis indicates that clusters in the medicinal peptide space are located
in a relatively narrow range of the physicochemical space: dense and empty regions were found, which can be explored
for the discovery of novel peptide drugs.