SCHEMBL13508489

SCHEMBL13508489

COCCN(CCOc1ccc(OC(C)(C)C(=O)O)cc1)S(=O)(=O)c1sc2ccc(Cl)cc2c1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 5/20 0.41
PPARA Q07869 8/20 0.40
PPARD Q03181 4/20 0.40
PPARG P37231 4/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
PFKFB3 Q16875 6/20 0.40
PFKFB4 Q16877 5/20 0.40
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN12 Q05209 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38

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
SCHEMBL3756003 0.83 PPARA (0.41) CMA1PPARAPPARDPPARGMEN1
SCHEMBL3691319 0.82 PPARA (0.42) CMA1PPARAPPARDPPARGMEN1
SCHEMBL3687645 0.82 PPARD (0.41) PPARAPPARDPPARGPFKFB3PFKFB4
SCHEMBL13508526 0.81 PPARA (0.40) CMA1PPARAPPARDPPARGMEN1
SCHEMBL3683343 0.80 PPARA (0.41) CMA1PPARAPPARDPPARGMEN1
SCHEMBL13508556 0.79 PTPN7 (0.44) PPARAPPARDPPARGPTPN7DUSP3
SCHEMBL3683718 0.77 PPARD (0.51) PPARDPPARGPFKFB3PFKFB4
SCHEMBL3695390 0.77 PPARD (0.43) CMA1PPARDPPARGPFKFB3PFKFB4
SCHEMBL3685095 0.77 PPARA (0.49) CMA1PPARAPPARDPPARGPFKFB3
SCHEMBL3689854 0.76 HTR6 (0.40) CMA1PFKFB3PFKFB4

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
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed