SCHEMBL6247997

SCHEMBL6247997

CS(=O)(=O)Nc1cc2c(cc1Sc1nccs1)C(=O)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00
PTGS1 P23219 8/20 1.00

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
SCHEMBL8592711 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL9148275 0.80 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6250229 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5347123 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL9434874 0.78 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL9147076 0.77 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL6742491 0.77 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL13198633 0.76 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL6249880 0.76 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL2464202 0.72 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
WO-1998050075-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 1998-11-12 WO claimed
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
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
US-20040204413-A1 Pharmaceutical compositions containing a COX-II inhibitor and a muscle relaxant OSMOTICA CORP. (VG) 2004-10-14 US disclosed
EP-1362585-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING A COX-II INHIBITOR AND A MUSCLE RELAXANT Osmotica Corp. (VG) 2003-11-19 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
WO-1998050075-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 1998-11-12 WO disclosed
US-5409944-A Enzyme inhibitors, antiinflammatory agent, antiseptic agent MERCK FROSST CANADA, INC. (CA) 1995-04-25 US disclosed