SCHEMBL6991799

SCHEMBL6991799

CS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(Cl)c3)C(=O)OC23CCCC3)cc1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.70
PTGS1 P23219 8/20 0.70

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
SCHEMBL6992948 0.90 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL6991543 0.89 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6993007 0.88 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL6992321 0.84 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6991630 0.84 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6988306 0.84 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL6990070 0.82 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6990073 0.82 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL6991312 0.81 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6994660 0.80 PTGS2 (0.74) 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-0799218-B1 DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2003-02-19 EP claimed
US-6222048-B1 AS ANTIINFLAMMATORY, ANTIPYRETIC AND ANALGESIC AGENTS; INHIBITS HORMONE INDUCED UTERINE CONTRACTION; ANTICANCER PROPERTIES; SIDE EFFECT REDUCTION MERCK FROSST CANADA & CO. (CA) 2001-04-24 US claimed
EP-0799218-A1 DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-10-08 EP claimed
WO-1996019469-A1 DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-06-27 WO claimed
EP-0799218-B1 DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2003-02-19 EP disclosed
US-6222048-B1 AS ANTIINFLAMMATORY, ANTIPYRETIC AND ANALGESIC AGENTS; INHIBITS HORMONE INDUCED UTERINE CONTRACTION; ANTICANCER PROPERTIES; SIDE EFFECT REDUCTION MERCK FROSST CANADA & CO. (CA) 2001-04-24 US disclosed
WO-1996019469-A1 DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-06-27 WO disclosed