SCHEMBL31584094

SCHEMBL31584094

COC(=O)[C@H](Cc1ccc2cnccc2c1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.53
CTSK P43235 9/20 0.53
CTSB P07858 4/20 0.53
KLK5 Q9Y337 1/20 0.48
PTPN1 P18031 1/20 0.48
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ACE P12821 1/20 0.42
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
CTSL P07711 2/20 0.41
ROCK2 O75116 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24502886 1.00 CTSS (0.53) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL31584535 0.85 CTSS (0.69) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL5630007 0.85 CTSS (0.69) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL15808276 0.84 CTSS (0.56) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL31584143 0.83 CTSB (0.46) CTSSCTSKCTSBPTPN1ROCK2
SCHEMBL29679126 0.83 CTSL (0.58) CTSSCTSKCTSBCTSLROCK2
SCHEMBL29679181 0.83 CTSL (0.58) CTSSCTSKCTSBCTSLROCK2
SCHEMBL31584126 0.83 CTSS (0.45) CTSSCTSKCTSBPTPN1ROCK2
SCHEMBL13538229 0.82 KLK5 (0.57) CTSSCTSKCTSBKLK5ITGB3
SCHEMBL13541200 0.82 KLK5 (0.57) CTSSCTSKCTSBKLK5ITGB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025106939-A1 CONJUGATES TARGETING FIBROBLAST ACTIVATION PROTEIN AND USES THEREOF Praxis Biotech LLC (US) 2025-05-22 WO disclosed