SCHEMBL6997162

SCHEMBL6997162

CCn1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)OC(C)(CC)C2=O)n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.40
PTGS1 P23219 7/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 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
SCHEMBL7000770 0.91 CA1 (0.37) PTGS2PTGS1
SCHEMBL7004874 0.89 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL6996362 0.89 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6997158 0.83 PTGS2 (0.40) PTGS2PTGS1JAK2JAK3PTK2
SCHEMBL6994981 0.80 PTGS2 (0.39) PTGS2
SCHEMBL7002825 0.80 CA1 (0.38) PTGS2PTGS1
SCHEMBL7000692 0.78 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6999875 0.78 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL6996360 0.77 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6999474 0.77 PTGS2 (0.54) 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 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