SCHEMBL5228263

SCHEMBL5228263

Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1cccc(CN(CC(=O)O)[S+]([O-])N2CCCc3ccccc32)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.54
PPARG P37231 19/20 0.54
CYP2C9 P11712 3/20 0.51
KCNH2 Q12809 2/20 0.51
CYP3A4 P08684 2/20 0.46

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
SCHEMBL5229122 0.86 PPARA (0.55) PPARAPPARG
SCHEMBL5228267 0.84 PPARG (0.54) PPARAPPARGCYP2C9KCNH2CYP3A4
SCHEMBL5228994 0.81 PPARG (0.55) PPARAPPARGCYP2C9KCNH2CYP3A4
SCHEMBL5263970 0.79 PPARA (0.49) PPARAPPARGCYP2C9KCNH2CYP3A4
SCHEMBL5231626 0.79 PPARG (0.49) PPARAPPARGCYP2C9KCNH2
SCHEMBL14361014 0.79 PPARG (0.58) PPARAPPARGCYP2C9KCNH2
SCHEMBL5229694 0.78 PPARG (0.58) PPARAPPARGCYP2C9KCNH2CYP3A4
SCHEMBL5261025 0.77 PPARA (0.62) PPARAPPARG
SCHEMBL5223532 0.77 PPARG (0.58) PPARAPPARGCYP2C9KCNH2CYP3A4
SCHEMBL5227677 0.77 PPARG (0.58) PPARAPPARGCYP2C9KCNH2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778654-A1 SULFAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR UPREGULATION OF LIPID METABOLISM COMPRISING SAME Crystalgenomics, Inc. (KR) 2007-05-02 EP disclosed
WO-2006006832-A1 SULFAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR UPREGULATION OF LIPID METABOLISM COMPRISING SAME CRYSTALGENOMICS, INC. (KR) 2006-01-19 WO disclosed