SCHEMBL6259699

SCHEMBL6259699

CC1(C)OC(O)C(c2cc(F)cc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.54
PTGS1 P23219 10/20 0.53

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
SCHEMBL8447043 0.90 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6330736 0.90 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5142204 0.89 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7490790 0.86 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL7491502 0.83 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7490617 0.76 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL7485513 0.76 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7485468 0.74 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7485570 0.73 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7488141 0.72 PTGS2 (0.51) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040204413-A1 Pharmaceutical compositions containing a COX-II inhibitor and a muscle relaxant OSMOTICA CORP. (VG) 2004-10-14 US claimed
EP-0904269-B1 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2002-01-23 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-0317332-B1 SULFONANILIDE COMPOUNDS TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-05-19 EP claimed
JP-8127533-A None JP disclosed
CN-108368127-B Compounds and their use as EP4 receptor antagonists 武田药品工业株式会社 2020-12-11 CN disclosed
WO-2016021742-A1 HETEROCYCLIC COMPOUNDS AS EP4 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-11 WO disclosed
EP-2846788-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN Akron Molecules AG (AT) 2015-03-18 EP disclosed
WO-2013167743-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN AKRON MOLECULES GMBH (AT) 2013-11-14 WO disclosed
WO-2005046650-A1 PHARMACEUTICAL FORMULATION CONTAINING MUSCLE RELAXANT AND COX-II INHIBITOR GLENMARK PHARMACEUTICALS LIMITED (US) 2005-05-26 WO disclosed
WO-2005044227-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS GLENMARK PHARMACEUTICALS LIMITED (US) 2005-05-19 WO disclosed
EP-0904269-B1 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2002-01-23 EP disclosed
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO disclosed
US-6057319-A CYCLOOXYGENASE-2 INHIBITORS; NON-STEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2000-05-02 US disclosed
EP-0904269-A1 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-03-31 EP disclosed
US-5698584-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1997-12-16 US disclosed
WO-1997016435-A1 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-05-09 WO disclosed
JP-H08127533-A COMPOSITION FOR ORAL SOLID PHARMACEUTICAL PREPARATION TAISHO PHARMACEUT CO LTD 1996-05-21 JP disclosed