SCHEMBL5680140

SCHEMBL5680140

CC(C)CC(C(=O)OC(C)(C)C)C(C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
RNPEP Q9H4A4 1/20 0.36
SLC7A5 Q01650 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.33
XBP1 P17861 1/20 0.33
RECQL P46063 1/20 0.33
SLC1A3 P43003 1/20 0.32

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
SCHEMBL5680147 1.00 CTSL (0.38) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL5093754 0.87 NPSR1 (0.37) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL6660326 0.87 NPSR1 (0.37) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL7762836 0.87 CTSL (0.39) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL7518209 0.87 CTSL (0.39) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL7518207 0.87 CTSL (0.39) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL15015766 0.87 CTSL (0.39) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL9258466 0.85 CTSL (0.38) CTSLCTSBCTSSCTSKRNPEP
SCHEMBL25687930 0.82 CA1 (0.42) CTSLCTSBCTSSCTSKTDP1
SCHEMBL7765816 0.81 CTSL (0.38) CTSLCTSBCTSSCTSKRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934292-B1 METALLOPROTEINASE INHIBITORS VERNALIS OXFORD LTD (GB) 2006-03-15 EP disclosed
EP-0998454-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-03-26 EP disclosed
US-6358987-B1 FOR THERAPY AND PROPHYLAXIS OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL EPIDERMAL OR GASTRIC ULCERATION, AND TUMOUR METASTASIS, INVASION AND GROWTH BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-03-19 US disclosed
US-6271262-B1 AMIDESULFONAMIDE COMPOUNDS AS ENZYME INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-08-07 US disclosed
EP-1066273-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-01-10 EP disclosed
EP-0874799-B1 PREPARATION OF ALLYL SUCCINATE DERIVATIVES AND STARTING MATERIALS THEREFOR BRITISH BIOTECH PHARM (GB) 2000-05-31 EP disclosed
EP-0998454-A2 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-05-10 EP disclosed
US-6022873-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-02-08 US disclosed
WO-1999048881-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-09-30 WO disclosed
EP-0934292-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-08-11 EP disclosed
US-5936116-A Preparation of allyl succinate derivatives and starting materials therefor BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-08-10 US disclosed
WO-1999003826-A2 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-01-28 WO disclosed
EP-0874799-A1 PREPARATION OF ALLYL SUCCINATE DERIVATIVES AND STARTING MATERIALS THEREFOR BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-11-04 EP disclosed
WO-1998017655-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-04-30 WO disclosed
WO-1997018183-A1 PREPARATION OF ALLYL SUCCINATE DERIVATIVES AND STARTING MATERIALS THEREFOR BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-05-22 WO disclosed