SCHEMBL7001735

SCHEMBL7001735

CCC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(Cl)c(C(F)(F)F)c2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.45
PTGS1 P23219 5/20 0.43
NOTUM Q6P988 1/20 0.43
KIF11 P52732 1/20 0.39
MAPT P10636 1/20 0.37
CCR2 P41597 1/20 0.36

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
SCHEMBL7002155 0.87 PTGS2 (0.47) PTGS2PTGS1NOTUMKIF11MAPT
SCHEMBL7002115 0.87 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL7002307 0.86 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7001471 0.85 PTGS2 (0.39) PTGS2PTGS1KIF11
SCHEMBL7001189 0.85 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6995791 0.84 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL6995460 0.84 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7001486 0.83 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6995116 0.82 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7001035 0.82 PTGS2 (0.45) 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-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP claimed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US claimed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP disclosed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO disclosed