SCHEMBL6999969

SCHEMBL6999969

CC1(C)OC(c2ccc(S(C)(=O)=O)cc2Cl)=C(c2cccc(F)c2)C1=O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.55
PTGS1 P23219 7/20 0.55
BRAF P15056 1/20 0.39
SCD O00767 1/20 0.37

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
SCHEMBL7003678 0.91 PTGS2 (0.47) PTGS2PTGS1BRAF
SCHEMBL7003139 0.90 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL7001429 0.89 PTGS2 (0.48) PTGS2PTGS1SCD
SCHEMBL6997585 0.89 PTGS2 (0.57) PTGS2PTGS1SCD
SCHEMBL7001462 0.88 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6995264 0.88 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7003099 0.84 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL6994838 0.84 PTGS2 (0.41) PTGS2PTGS1BRAF
SCHEMBL6996644 0.83 PTGS2 (0.40) PTGS2PTGS1BRAF
SCHEMBL6995060 0.83 PTGS2 (0.45) PTGS2PTGS1SCD

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 5 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
CN-1166658-C 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors ��ʽ����̫ƽ�� 2004-09-15 CN disclosed
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