SCHEMBL7308202

SCHEMBL7308202

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccs1)C(=O)CSCc1ccco1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.48
CAPN1 P07384 2/20 0.47
CTSL P07711 6/20 0.47
CTSB P07858 5/20 0.47
CTSS P25774 2/20 0.46

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
SCHEMBL7308218 1.00 CTSK (0.48) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL7304428 0.91 CAPN1 (0.57) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL7307053 0.91 CAPN1 (0.57) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL7304416 0.91 CAPN1 (0.57) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL7300633 0.90 CTSK (0.56) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL7300643 0.90 CTSK (0.56) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL7303773 0.88 CTSL (0.55) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL7303786 0.88 CTSL (0.55) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL7312633 0.88 CAPN1 (0.52) CTSKCAPN1CTSLCTSB
SCHEMBL7308210 0.88 PSMB1 (0.44) CTSKCTSLCTSBCTSS

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