SCHEMBL8133802

SCHEMBL8133802

COC(=O)[C@@H](NS(=O)(=O)c1ccc(CBr)cc1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 6/20 0.53
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
CA12 O43570 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
MMP9 P14780 9/20 0.50
MMP13 P45452 9/20 0.50
MMP2 P08253 9/20 0.50
MMP3 P08254 8/20 0.50
MMP1 P03956 7/20 0.50
MMP7 P09237 7/20 0.50
MMP8 P22894 1/20 0.50
MMP14 P50281 1/20 0.49

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
SCHEMBL8283226 0.84 MMP2 (0.68) ADAMTS4CA12CA14MMP9MMP13
SCHEMBL690201 0.84 MMP2 (0.68) ADAMTS4CA12CA14MMP9MMP13
SCHEMBL690202 0.84 MMP2 (0.68) ADAMTS4CA12CA14MMP9MMP13
SCHEMBL1656188 0.84 ADAMTS4 (0.76) ADAMTS4MMP9MMP13MMP2MMP3
SCHEMBL8283227 0.84 ADAMTS4 (0.76) ADAMTS4MMP9MMP13MMP2MMP3
SCHEMBL6723663 0.81 MMP9 (0.72) ADAMTS4CA12CA14CA9MMP9
SCHEMBL6723666 0.81 MMP9 (0.72) ADAMTS4CA12CA14CA9MMP9
SCHEMBL7347163 0.81 MMP9 (0.72) ADAMTS4CA12CA14CA9MMP9
SCHEMBL9595462 0.81 MMP1 (0.53) CA12CA14CA7CA9MMP9
SCHEMBL5899567 0.81 MMP9 (0.61) ADAMTS4CA12CA14MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543858-B1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIOTECH PHARM (GB) 2000-12-20 EP disclosed
US-5451676-A Treatment of hypotension and bronchoconstriction BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-09-19 US disclosed
US-5274094-A Diseases or conditions mediated by platelet-activating factor; cyclization of a diamino compound with a carboxylic acid BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-12-28 US disclosed
EP-0543858-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1993-06-02 EP disclosed
US-5200412-A Antiinflammatory agents and antiallergens BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-04-06 US disclosed
WO-1992003423-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO disclosed