SCHEMBL6330216

SCHEMBL6330216

CS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(F)c3)C(=O)OC2O)cc1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.70
PTGS1 P23219 8/20 0.57

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
SCHEMBL6604670 0.86 PTGS2 (0.80) PTGS2PTGS1
5-Hydroxy Rofecoxib SCHEMBL6331980 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6741606 0.77 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6738511 0.75 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL2159864 0.73 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7485969 0.72 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7836931 0.72 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7490790 0.72 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL7624385 0.71 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL6734556 0.70 NR3C1 (0.44) 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 20 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
EP-1146905-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN Algos Pharmaceutical Corporation (US) 2001-10-24 EP claimed
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
WO-2000029023-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
EP-0828724-A1 DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-03-18 EP claimed
US-5691374-A ENZYME INHIBITORS OF CYCLOOXYGENASE AS ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA INC. (CA) 1997-11-25 US claimed
WO-1996036623-A1 DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-11-21 WO claimed
US-20050100594-A1 Pharmaceutical formulation containing muscle relaxant and COX-II inhibitor GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-05-12 US disclosed
US-20050096371-A1 Topical pharmaceutical compositions GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-05-05 US disclosed
EP-0975604-B1 PYRIDAZINONES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC (CA) 2004-07-21 EP disclosed
EP-0828724-B1 DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2001-12-05 EP disclosed
EP-1146905-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN Algos Pharmaceutical Corporation (US) 2001-10-24 EP disclosed
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO disclosed
WO-2000029023-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO disclosed
EP-0975604-A1 PYRIDAZINONES AS INHIBITORS OF CYCLOOXYGENASE-2 Merck Frosst Canada & Co. (CA) 2000-02-02 EP disclosed
US-6004960-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; ANTIPYRETICS, ANALGESICS; SIDE EFFECT REDUCTION MERCK FROSST CANADA, INC. (CA) 1999-12-21 US disclosed
WO-1998041511-A1 PYRIDAZINONES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA & CO. (CA) 1998-09-24 WO 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