SCHEMBL6966559

SCHEMBL6966559

C=C(CCl)COC1=C(c2ccc(S(C)(=O)=O)cc2)C(C)(C)OC1=O

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.67
PTGS1 P23219 10/20 0.60

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
SCHEMBL6954680 0.90 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL6956641 0.89 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6957061 0.87 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6966856 0.79 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6964255 0.79 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL4213329 0.78 PTGS2 (0.85) PTGS2PTGS1
SCHEMBL5208636 0.77 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5204977 0.77 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5203543 0.77 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL6961489 0.77 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 4 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 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