SCHEMBL7773237

SCHEMBL7773237

COc1ccc(-c2c[nH]nc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.58
PTGS1 P23219 7/20 0.58

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
SCHEMBL7773144 0.87 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7780899 0.87 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL15503669 0.86 KMT2A (0.53) PTGS2
SCHEMBL7780697 0.85 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7777657 0.85 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7780838 0.84 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7780024 0.84 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL6251030 0.84 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7779833 0.84 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7779786 0.84 PTGS2 (0.47) PTGS2PTGS1

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-0772597-B1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2001-12-12 EP disclosed
EP-1127878-A1 3,4 - substituted pyrazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-29 EP disclosed
US-6028072-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 2000-02-22 US disclosed
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed
US-5580985-A ANTIARTHRITIC AGENT; SIDE EFFECT REDUCTION G. D. SEARLE & CO. (US) 1996-12-03 US disclosed
US-5486534-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-01-23 US disclosed