SCHEMBL6956648

SCHEMBL6956648

CC(CO)OC1=C(c2ccc(S(C)(=O)=O)cc2)C(C)(C)OC1=O

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.82
PTGS1 P23219 9/20 0.82

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
SCHEMBL5203537 0.90 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6953718 0.89 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6961287 0.89 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL677786 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8063898 0.85 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL8063904 0.85 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL5205468 0.84 PTGS1 (1.00) PTGS2PTGS1
SCHEMBL6961814 0.83 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL6965275 0.83 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL6961489 0.83 PTGS2 (0.70) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970067-B1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES WITH OXYGEN LINK AS COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2003-07-02 EP claimed
US-6071954-A AS NON-STEROIDAL ANTIINFLAMMATROY AGENT FOR TREATING INFLAMMATION; NONTOXIC MERK FROSST CANADA, INC. (CA) 2000-06-06 US claimed
EP-0970067-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES WITH OXYGEN LINK AS COX-2 INHIBITORS Merck Frosst Canada & Co. (CA) 2000-01-12 EP claimed
WO-1998041516-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES WITH OXYGEN LINK AS COX-2 INHIBITORS MERCK FROSST CANADA & CO. (CA) 1998-09-24 WO claimed
EP-0970067-B1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES WITH OXYGEN LINK AS COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2003-07-02 EP disclosed
US-6071954-A AS NON-STEROIDAL ANTIINFLAMMATROY AGENT FOR TREATING INFLAMMATION; NONTOXIC MERK FROSST CANADA, INC. (CA) 2000-06-06 US disclosed
EP-0970067-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES WITH OXYGEN LINK AS COX-2 INHIBITORS Merck Frosst Canada & Co. (CA) 2000-01-12 EP disclosed
WO-1998041516-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES WITH OXYGEN LINK AS COX-2 INHIBITORS MERCK FROSST CANADA & CO. (CA) 1998-09-24 WO disclosed