SCHEMBL7482159

SCHEMBL7482159

COC1(C)OC(=O)C(Sc2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.74
PTGS1 P23219 9/20 0.74

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
SCHEMBL5204904 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7491749 0.83 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL7828873 0.80 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL7511340 0.80 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL5208687 0.79 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL5208760 0.75 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL7830203 0.73 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL7840462 0.73 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7838409 0.71 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL5204814 0.71 PTGS2 (0.74) 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
EP-0863891-B1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2002-12-11 EP 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
US-6169188-B1 TREATING CYCLOOXYGENASE-2 MEDIATED DISEASES MERCK FROSST CANADA & CO. (CA) 2001-01-02 US disclosed
EP-0882016-B1 ALKYLATED STYRENES AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2000-05-31 EP disclosed
US-6057319-A CYCLOOXYGENASE-2 INHIBITORS; NON-STEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2000-05-02 US disclosed
US-6020343-A (Methylsulfonyl)phenyl-2-(5H)-furanones as COX-2 inhibitors MERCK FROSST CANADA, INC. (CA) 2000-02-01 US disclosed
US-5925631-A NOVEL PRODRUGS ARE CONVERTED IN VIVO TO SELECTIVE CYCLOOXYGENASE-2 INHIBITORS; NONSTEROIDAL ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 1999-07-20 US disclosed
EP-0882016-A1 ALKYLATED STYRENES AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-12-09 EP disclosed
EP-0863891-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-09-16 EP disclosed
US-5789413-A ANTIINFLAMMATORY AGENT MERCK FROSST CANADA, INC. (CA) 1998-08-04 US disclosed
US-5698584-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1997-12-16 US disclosed
WO-1997028121-A1 ALKYLATED STYRENES AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-08-07 WO disclosed
WO-1997014691-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-04-24 WO disclosed