SCHEMBL6995648

SCHEMBL6995648

CC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2cn[nH]c2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.43
PTGS1 P23219 6/20 0.42
FYN P06241 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39

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
SCHEMBL6996147 0.89 PTGS2 (0.42) PTGS2
SCHEMBL6997519 0.86 PTGS2 (0.44) PTGS2PTGS1FYNLOXL2
SCHEMBL7001297 0.84 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6994499 0.81 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6992929 0.80 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6996714 0.80 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7002356 0.80 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6995448 0.79 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6997655 0.79 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL27467950 0.79 PDE3B (0.33)

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 9 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
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
CN-1348447-A 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2002-05-08 CN 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