SCHEMBL3165013

SCHEMBL3165013

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

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.67
CAPN1 P07384 2/20 0.66
CTSL P07711 7/20 0.64
CTSB P07858 4/20 0.64
CTSS P25774 3/20 0.64

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
SCHEMBL7740137 0.91 CAPN1 (0.69) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL8407401 0.89 CTSK (0.65) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL7164724 0.89 CTSK (0.67) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL21485271 0.88 CTSK (0.70) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL27509913 0.86 CTSK (0.70) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL27509912 0.86 CTSK (0.70) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL25406813 0.86 CTSK (0.77) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL20770085 0.86 CTSK (0.77) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL4872585 0.86 CTSK (0.77) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL8823918 0.86 CTSK (0.77) CTSKCAPN1CTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276895-B1 METHOD FOR THE IDENTIFICATION OF ACTIVE SITE PROTEASE INACTIVATORS UNIV GEORGIA (US) 2010-03-17 EP disclosed
US-20080139458-A1 Lubricating a joint in a mammal by administering lubricin and an enzyme inhibitor like Z-Leu-Leu-Leu-fluoromethyl ketone (Z-LLL-FMK) MUCOSAL THERAPEUTICS 2008-06-12 US disclosed
EP-1379634-A1 ACTIVE SITE INACTIVATORS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2004-01-14 EP disclosed
US-20030077653-A1 Method for the identification of active site protease inactivators THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2003-04-24 US disclosed
EP-1276895-A2 METHOD FOR THE IDENTIFICATION OF ACTIVE SITE PROTEASE INACTIVATORS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2003-01-22 EP disclosed
WO-2002086115-A1 ACTIVE SITE INACTIVATORS THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2002-10-31 WO disclosed
WO-2001081613-A2 METHOD FOR THE IDENTIFICATION OF ACTIVE SITE PROTEASE INACTIVATORS THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2001-11-01 WO disclosed