SCHEMBL6997158

SCHEMBL6997158

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
PTK2 Q05397 1/20 0.38
PTGS1 P23219 8/20 0.34
MELK Q14680 1/20 0.34

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
SCHEMBL7000766 0.91 PTGS2 (0.38) PTGS2
SCHEMBL6992965 0.89 CYP3A4 (0.41) PTGS2CYP3A4CYP2C9JAK2JAK3
SCHEMBL6996360 0.88 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6997858 0.85 PTGS2 (0.43) PTGS2PTGS1MELK
SCHEMBL6997162 0.83 PTGS2 (0.40) PTGS2JAK2JAK3PTK2PTGS1
SCHEMBL6999875 0.81 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL7000690 0.80 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7002714 0.80 PTGS2 (0.39) PTGS2
SCHEMBL6999474 0.79 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL6993155 0.79 FYN (0.41) PTGS2

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 3 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-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