SCHEMBL13508259

SCHEMBL13508259

CCCN(C[C@@H](C)Sc1ccc(OCC(=O)O)c(C)c1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.51
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL3683161 1.00 PPARD (0.51) PPARDPPARAPPARGPTGDR2PTPN1
SCHEMBL3687341 0.91 PPARD (0.51) PPARDPPARAPTGDR2PTPN1
SCHEMBL3687339 0.91 PPARD (0.51) PPARDPPARAPTGDR2PTPN1
SCHEMBL3691720 0.90 PPARD (0.53) PPARDPPARAPPARGPTGDR2
SCHEMBL13508254 0.90 PPARD (0.53) PPARDPPARAPPARGPTGDR2
SCHEMBL13508354 0.88 PTPN1 (0.45) PPARDPPARAPPARGPTPN1
SCHEMBL3691327 0.87 PPARD (0.47) PPARDPPARAPPARGPTGDR2PTPN1
SCHEMBL13508270 0.87 PPARD (0.47) PPARDPPARAPPARGPTGDR2PTPN1
SCHEMBL3683369 0.86 PPARD (0.42) PPARDPPARAPPARGPTGDR2PTPN1
SCHEMBL3690903 0.86 PPARD (0.57) PPARDPPARAPTGDR2

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
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