SCHEMBL7314141

SCHEMBL7314141

COc1ccc(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C(=O)CSC)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.68
CTSL P07711 7/20 0.68
CTSS P25774 4/20 0.68
CAPN1 P07384 2/20 0.61
CTSB P07858 2/20 0.56
HTRA1 Q92743 1/20 0.54
MMP1 P03956 1/20 0.53

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
SCHEMBL7314157 1.00 CTSK (0.68) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL7306872 0.93 CAPN1 (0.67) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL7306858 0.93 CAPN1 (0.67) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL7300598 0.92 CAPN1 (0.62) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL7300590 0.92 CAPN1 (0.62) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL7304340 0.90 CAPN1 (0.60) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL7304325 0.90 CAPN1 (0.60) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL10350043 0.88 CTSK (0.75) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL7312656 0.88 CTSK (0.67) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL7312669 0.88 CTSK (0.67) CTSKCTSLCTSSCAPN1CTSB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525420-B1 Pseudopeptides and dipeptides characterised by a substituted methyl ketone moiety at the C-terminus as thiol protease inhibitors MITSUBISHI CHEM CORP (JP) 1999-05-12 EP disclosed
US-5834508-A PROTEASE ENZYME INHIBITORS; MUSCLE DISORDERS MITSUBISHI CHEMICAL CORPORATION (JP) 1998-11-10 US disclosed
US-5639783-A POTENT PROTEASE INHIBITOR FOR TREATING MUSCULAR, NERVOUS SYSTEM DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-17 US disclosed
EP-0525420-A1 Pseudopeptides and dipeptides characterised by a substituted methyl ketone moiety at the C-terminus as thiol protease inhibitors Mitsubishi Chemical Corporation (JP) 1993-02-03 EP disclosed