SCHEMBL7780855

SCHEMBL7780855

CS(=O)(=O)c1ccc(-c2n[nH]c(COCc3ccccc3)c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.46
PTGS2 P35354 11/20 0.44
PTGS1 P23219 7/20 0.44
AR P10275 1/20 0.42
FAAH O00519 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPK14 Q16539 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
SCHEMBL7778249 0.89 PTGS2 (0.52) GHSRPTGS2PTGS1ARMAPK14
SCHEMBL7777645 0.81 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8175431 0.81 ALDH1A1 (0.43) PTGS2PTGS1
SCHEMBL7780834 0.79 PTGS2 (0.51) PTGS2PTGS1MAPK14
SCHEMBL8627791 0.79 PTGS1 (0.42) GHSRPTGS2PTGS1ARMAPK14
SCHEMBL7779404 0.77 PTGS2 (0.49) GHSRPTGS2PTGS1AR
SCHEMBL7780127 0.77 PTGS2 (0.55) GHSRPTGS2PTGS1ARFAAH
SCHEMBL8627790 0.77 MAPT (0.45) GHSRPTGS2PTGS1AR
SCHEMBL7779836 0.76 PTGS2 (0.46) GHSRPTGS2PTGS1ARFAAH
SCHEMBL7779618 0.75 PTGS2 (0.57) 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