SCHEMBL5748862

SCHEMBL5748862

COC(=O)Cc1cc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cn3)C(C)C2)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 6/20 0.46
GCKR Q14397 7/20 0.44
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
KDM4E B2RXH2 1/20 0.41
CCR6 P51684 1/20 0.41
GAA P10253 1/20 0.40
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40

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
SCHEMBL6356889 0.91 CXCR3 (0.48) CXCR3GCKRF13A1TGM2TGM1
SCHEMBL6357386 0.91 CXCR3 (0.48) CXCR3GCKRF13A1TGM2TGM1
SCHEMBL5480564 0.91 CXCR3 (0.48) CXCR3GCKRF13A1TGM2TGM1
SCHEMBL5748378 0.84 GCKR (0.43) GCKRF13A1TGM2TGM1KDM4E
SCHEMBL6349119 0.84 GCKR (0.43) GCKRF13A1TGM2TGM1KDM4E
SCHEMBL5797656 0.84 GCKR (0.43) GCKRF13A1TGM2TGM1KDM4E
SCHEMBL5747281 0.84 CXCR3 (0.45) CXCR3F13A1TGM2TGM1KDM4E
SCHEMBL6408554 0.83 CXCR3 (0.48) CXCR3GCKRF13A1TGM2TGM1
SCHEMBL5747924 0.83 GCKR (0.43) CXCR3GCKRF13A1TGM2TGM1
SCHEMBL5747872 0.82 GCKR (0.45) CXCR3GCKRF13A1TGM2TGM1

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-1735280-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS Kalypsys, Inc. (US) 2006-12-27 EP disclosed
WO-2005115983-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2005-12-08 WO disclosed