SCHEMBL7001868

SCHEMBL7001868

CS(=O)(=O)c1ccc(C2=C(c3ccccc3F)C(=O)C3(CCCC3)O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.47
PTGS1 P23219 6/20 0.46
BRAF P15056 2/20 0.42

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
SCHEMBL6997197 0.84 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7002421 0.83 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7003888 0.83 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6999495 0.83 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL6994935 0.81 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6994592 0.81 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL6999353 0.80 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6999543 0.78 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6997318 0.78 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7002999 0.77 PTGS2 (0.46) 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 7 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
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP claimed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO 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