SCHEMBL7487002

SCHEMBL7487002

CC1(C)OC(=O)C(Oc2ccncc2)=C1c1ccc(S(C)(=O)=O)cc1

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 10/20 0.79

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
SCHEMBL4575651 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7486869 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5210855 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5207855 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5210653 0.85 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL5207098 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8311314 0.82 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL7487520 0.82 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5207551 0.82 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL7484348 0.81 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1200119-A (METHYLSULFONYL) PHENYL-2- (5H) -FURANONE AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC (CA) 1998-11-25 CN claimed
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
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-5981576-A (Methylsulfonyl)phenyl-2-(5H)-furanones as COX-2 inhibitors MERCK FROSST CANADA, INC. (CA) 1999-11-09 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
EP-0863891-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-09-16 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
WO-1997014691-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-04-24 WO disclosed