SCHEMBL7003059

SCHEMBL7003059

Cn1cc(C2=C(c3ccc(S(C)(=O)=O)cc3)OC(C)(C)C2=O)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.41
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
CCNT1 O60563 1/20 0.40
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
LOX P28300 2/20 0.40
LRRK2 Q5S007 1/20 0.39
PTGS2 P35354 9/20 0.39
PTGS1 P23219 3/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
MELK Q14680 1/20 0.38
PIP4K2A P48426 1/20 0.37
PIP4K2B P78356 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
SCHEMBL6997404 0.89 PTGS2 (0.44) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL6996360 0.86 PTGS2 (0.41) FLT3CCNB2CDK1CCNB1CDK5
SCHEMBL6997713 0.85 PTGS2 (0.40) PTGS2PTGS1MELK
SCHEMBL6992965 0.85 CYP3A4 (0.41) PTGS2PTGS1MELK
SCHEMBL7000602 0.85 LOX (0.40) FLT3CCNB2CDK1CCNB1CDK5
SCHEMBL7001297 0.83 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7003061 0.83 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL7002833 0.81 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6994499 0.80 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6992929 0.79 PTGS2 (0.52) 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