SCHEMBL7773178

SCHEMBL7773178

COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)nn(CCCO)c2C(F)(F)F)cc1C

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.54
PTGS1 P23219 11/20 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
SCHEMBL7773220 0.92 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7773004 0.91 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7773155 0.88 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL7780086 0.88 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7772994 0.86 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7777890 0.86 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8634283 0.86 F10 (0.42) PTGS2PTGS1
SCHEMBL7779588 0.86 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7780872 0.85 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7777978 0.85 PTGS2 (0.62) 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 7 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
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