SCHEMBL7356544

SCHEMBL7356544

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

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.59
CTSS P25774 2/20 0.59
CTSK P43235 2/20 0.59
MMP3 P08254 1/20 0.56
PTPN1 P18031 1/20 0.53
CAPN1 P07384 2/20 0.53
KMT2A Q03164 1/20 0.52
MMP1 P03956 3/20 0.51

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
SCHEMBL11131051 1.00 CTSL (0.59) CTSLCTSSCTSKMMP3PTPN1
SCHEMBL10349496 0.96 CTSK (0.57) CTSLCTSSCTSKMMP3PTPN1
Hydrochloric Acid SCHEMBL10349702 0.96 CTSK (0.56) CTSLCTSSCTSKMMP3PTPN1
SCHEMBL7438832 0.95 MMP1 (0.59) CTSLCTSSCTSKMMP3PTPN1
SCHEMBL10705599 0.95 CTSL (0.57) CTSLCTSSCTSKMMP3PTPN1
SCHEMBL10349341 0.93 CTSK (0.56) CTSLCTSSCTSKMMP3PTPN1
SCHEMBL10706215 0.91 KMT2A (0.49) CTSLCTSSCTSKMMP3KMT2A
SCHEMBL10707043 0.90 MMP1 (0.57) CTSLCTSSCTSKMMP3PTPN1
SCHEMBL10714016 0.90 CTSL (0.50) CTSLCTSSCTSKMMP3CAPN1
SCHEMBL10705401 0.90 MMP1 (0.59) CTSLCTSSCTSKMMP3PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6307101-B1 AMIDES SUBSTITUTED WITH MERCAPTOALCOHOL OR MERCAPTOKETONE GROUPS CAMPBELL DAVID A (US) 2001-10-23 US disclosed
US-6271232-B1 INHIBITORS OF METALLOPROTEASES USEFUL IN TREATING DISEASES INVOLVING TISSUE BREAKDOWN, SUCH AS RHEUMATOID ARTHRITIS AFFYMAX TECHNOLOGIES, N.V. (GB) 2001-08-07 US disclosed
US-6090785-A USEFUL INHIBITORS OF MATRIX METALLOENDOPROTEINASE-MEDIATED DISEASES INCLUDING OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, TUMOR INVASION IN CERTAIN CANCERS, PERIODONTAL DISEASE, PROTEINURIA AND CORONARY THROMBOSIS MERCK & CO., INC. (US) 2000-07-18 US disclosed
EP-0832100-B1 NOVEL INHIBITORS OF METALLOPROTEASES AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AFFYMAX TECH NV (AN) 2000-04-05 EP disclosed
US-5990112-A 6-MERCAPTOMETHYL-PIPERAZIN-2,5-DIONE DERIVATIVES; USEFUL FOR TREATING OR CONTROLLING DISEASE STATES OR CONDITIONS WHICH INVOLVE TISSUE BREAKDOWN, SUCH AS RHEUMATOID ARTHRITIS AFFYMAX TECHNOLOGIES N.V. (GB) 1999-11-23 US disclosed
EP-0832100-A4 NOVEL INHIBITORS OF METALLOPROTEASES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AND METHODS OF THEIR USE AFFYMAX TECH NV (AN) 1998-09-02 EP disclosed
EP-0832100-A1 NOVEL INHIBITORS OF METALLOPROTEASES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AND METHODS OF THEIR USE AFFYMAX TECHNOLOGIES N.V. (AN) 1998-04-01 EP disclosed
US-5629343-A INHIBITORS OF METALLOENDOPROTEINASES WHICH DEGRADE CARTILAGE MERCK & CO., INC. (US) 1997-05-13 US disclosed
WO-1996040738-A1 NOVEL INHIBITORS OF METALLOPROTEASES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AND METHODS OF THEIR USE AFFYMAX TECHNOLOGIES, N.V. (AN) 1996-12-19 WO disclosed
EP-0671911-A4 CARBOXY-PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS. MERCK & CO INC (US) 1996-08-21 EP disclosed
EP-0671911-A1 CARBOXY-PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO. INC. (US) 1995-09-20 EP disclosed
US-5403952-A Substituted cyclic derivatives as novel antidegenerative agents MERCK & CO., INC. (US) 1995-04-04 US disclosed
WO-1994012169-A1 CARBOXY-PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO., INC. (US) 1994-06-09 WO disclosed
WO-1992021360-A1 SUBSTITUTED N-CARBOXYALKYLPEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO., INC. (US) 1992-12-10 WO disclosed