SCHEMBL7838409

SCHEMBL7838409

COC1(C)OC(=O)C(c2cc(F)cc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.82
PTGS1 P23219 11/20 0.82

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
SCHEMBL7840025 0.91 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL7840462 0.90 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7829791 0.87 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL7828873 0.85 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL7830203 0.83 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL7830502 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6739106 0.80 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL6991630 0.79 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6742871 0.78 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7838404 0.78 PTGS2 (1.00) 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-0828724-B1 DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2001-12-05 EP claimed
US-5691374-A ENZYME INHIBITORS OF CYCLOOXYGENASE AS ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA INC. (CA) 1997-11-25 US claimed
EP-0828724-B1 DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2001-12-05 EP disclosed
EP-0828724-A1 DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-03-18 EP disclosed
US-5691374-A ENZYME INHIBITORS OF CYCLOOXYGENASE AS ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA INC. (CA) 1997-11-25 US disclosed
WO-1996036623-A1 DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-11-21 WO disclosed