SCHEMBL7779582

SCHEMBL7779582

COc1ccc(-c2c[nH]nc2-c2ccc(S(C)(=O)=O)cc2)cc1F

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.67
PTGS1 P23219 7/20 0.54

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
SCHEMBL7777673 0.89 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL7778228 0.86 PTGS2 (0.48) PTGS2
SCHEMBL7773157 0.86 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7780605 0.85 PTGS2 (0.52) PTGS2
SCHEMBL7777902 0.82 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6721564 0.82 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL7779833 0.80 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL6251030 0.80 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL6724312 0.80 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7780844 0.80 PTGS2 (0.50) 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 8 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
EP-0772597-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
US-5580985-A ANTIARTHRITIC AGENT; SIDE EFFECT REDUCTION G. D. SEARLE & CO. (US) 1996-12-03 US disclosed
WO-1996003385-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed
US-5486534-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-01-23 US disclosed