SCHEMBL13508263

SCHEMBL13508263

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

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.44
PPARA Q07869 3/20 0.44
PPARG P37231 1/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.42
PTPN1 P18031 2/20 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
SCHEMBL3691253 1.00 PPARD (0.44) PPARDPPARAPPARGPTGDR2PTPN1
SCHEMBL3686842 0.94 PPARD (0.44) PPARDPPARAPPARGPTGDR2PTPN1
SCHEMBL13508261 0.94 PPARD (0.44) PPARDPPARAPPARGPTGDR2PTPN1
SCHEMBL3690133 0.90 PPARD (0.46) PPARDPPARAPPARGPTGDR2PTPN1
SCHEMBL13508255 0.90 PPARD (0.46) PPARDPPARAPPARGPTGDR2PTPN1
SCHEMBL14338922 0.89 PTGDR2 (0.42) PPARDPPARAPPARGPTGDR2PTPN1
SCHEMBL13508254 0.88 PPARD (0.53) PPARDPPARAPPARGPTGDR2
SCHEMBL3691720 0.88 PPARD (0.53) PPARDPPARAPPARGPTGDR2
SCHEMBL3690038 0.87 PTGDR2 (0.45) PPARDPPARAPTGDR2PTPN1
SCHEMBL3683801 0.87 PTGDR2 (0.41) PPARDPPARAPPARGPTGDR2PTPN1

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