SCHEMBL7488141

SCHEMBL7488141

COC1OC(C)(C)C(c2ccc(S(C)(=O)=O)cc2)=C1c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.51
PTGS1 P23219 11/20 0.51

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
SCHEMBL6330736 0.82 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7487950 0.75 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL6329140 0.75 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7487145 0.74 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6259699 0.72 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8191069 0.72 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7490892 0.72 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7485513 0.71 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7490617 0.71 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL7485570 0.71 PTGS2 (0.57) 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-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-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
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