SCHEMBL3687645

SCHEMBL3687645

Cc1cc(OCCN(CCc2ccccc2)S(=O)(=O)c2sc3ccc(Cl)cc3c2C)ccc1OC(C)(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.41
PPARA Q07869 9/20 0.41
PPARG P37231 8/20 0.41
PFKFB3 Q16875 4/20 0.37
PFKFB4 Q16877 4/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN12 Q05209 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35

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
SCHEMBL3682620 0.93 PFKFB4 (0.37) PPARDPPARAPPARGPFKFB3PFKFB4
SCHEMBL3688599 0.89 PPARD (0.48) PPARDPPARAPPARGALDH1A1GAA
SCHEMBL3681617 0.87 PPARD (0.40) PPARDPPARAPPARGPFKFB3PFKFB4
SCHEMBL3683718 0.83 PPARD (0.51) PPARDPPARGPFKFB3PFKFB4
SCHEMBL13508489 0.82 CMA1 (0.41) PPARDPPARAPPARGPFKFB3PFKFB4
SCHEMBL3756003 0.82 PPARA (0.41) PPARDPPARAPPARGPFKFB3PFKFB4
SCHEMBL3695390 0.81 PPARD (0.43) PPARDPPARGPFKFB3PFKFB4
SCHEMBL3688961 0.81 PPARD (0.48) PPARDPPARAPPARGPFKFB3PFKFB4
SCHEMBL13508526 0.80 PPARA (0.40) PPARDPPARAPPARGPFKFB3PFKFB4
SCHEMBL3689893 0.79 PPARD (0.48) PPARDPPARAPPARGPFKFB3PFKFB4

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 7 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
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 WO disclosed