SCHEMBL6992965

SCHEMBL6992965

CCn1cc(C2=C(c3ccc(S(C)(=O)=O)cc3)OC(C)(C)C2=O)cn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PTGS2 P35354 15/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
PTGS1 P23219 6/20 0.38
MELK Q14680 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
SCHEMBL7002714 0.90 PTGS2 (0.39) PTGS2
SCHEMBL6997158 0.89 PTGS2 (0.40) CYP3A4CYP2C9PTGS2JAK2JAK3
SCHEMBL7003059 0.85 FLT3 (0.41) PTGS2PTGS1MELK
SCHEMBL7004874 0.82 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL6997713 0.82 PTGS2 (0.40) PTGS2PTGS1MELK
SCHEMBL7001297 0.80 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7000766 0.80 PTGS2 (0.38) PTGS2
SCHEMBL6999178 0.78 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7002833 0.78 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6994499 0.77 PTGS2 (0.42) 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 4 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