SCHEMBL7779580

SCHEMBL7779580

Cc1ccc(-c2cn(CC#N)nc2-c2ccc(S(C)(=O)=O)cc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.48
ROS1 P08922 1/20 0.40

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
SCHEMBL7778102 0.91 PTGS2 (0.46) PTGS2ROS1
SCHEMBL7780850 0.90 PTGS2 (0.49) PTGS2
SCHEMBL7777631 0.87 PTGS2 (0.52) PTGS2
SCHEMBL7780876 0.87 PTGS2 (0.56) PTGS2
SCHEMBL7777647 0.85 PTGS2 (0.64) PTGS2
SCHEMBL7779959 0.84 PTGS2 (0.51) PTGS2ROS1
SCHEMBL7772954 0.83 PTGS2 (0.56) PTGS2
SCHEMBL7780675 0.83 PTGS2 (0.48) PTGS2
SCHEMBL7779655 0.83 PTGS2 (0.51) PTGS2
SCHEMBL7779266 0.82 PTGS2 (0.60) PTGS2

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