SCHEMBL7780434

SCHEMBL7780434

CS(=O)(=O)c1ccc(-c2c(-c3ccncc3)nn(CCc3ccccc3)c2C(F)(F)F)cc1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.83
PTGS1 P23219 5/20 0.48

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
SCHEMBL7777923 1.00 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL7773167 0.91 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL214172 0.91 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7780493 0.90 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL7777669 0.90 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL7780015 0.90 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7780681 0.90 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7773238 0.87 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7780532 0.87 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7779936 0.84 PTGS2 (0.81) 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 claimed
EP-1127878-A1 3,4 - substituted pyrazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-29 EP claimed
US-6028072-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 2000-02-22 US claimed
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