SCHEMBL7780796

SCHEMBL7780796

COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)nn(CC#N)c2C(F)(F)F)cc1C

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.52
PTGS1 P23219 4/20 0.44

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
SCHEMBL7779951 0.91 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7780026 0.91 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7772900 0.89 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7779479 0.86 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL7779797 0.85 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7780088 0.85 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7773259 0.85 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7777561 0.84 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL7773220 0.84 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7780886 0.84 PTGS2 (0.52) 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