SCHEMBL13508261

SCHEMBL13508261

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

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.44
PPARA Q07869 3/20 0.44
PPARG P37231 1/20 0.44
PTPN1 P18031 2/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.41

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
SCHEMBL3686842 1.00 PPARD (0.44) PPARDPPARAPPARGPTPN1PTGDR2
SCHEMBL3691253 0.94 PPARD (0.44) PPARDPPARAPPARGPTPN1PTGDR2
SCHEMBL13508263 0.94 PPARD (0.44) PPARDPPARAPPARGPTPN1PTGDR2
SCHEMBL3690133 0.90 PPARD (0.46) PPARDPPARAPPARGPTPN1PTGDR2
SCHEMBL13508255 0.90 PPARD (0.46) PPARDPPARAPPARGPTPN1PTGDR2
SCHEMBL13508266 0.88 PTGDR2 (0.42) PPARDPPARAPPARGPTPN1PTGDR2
SCHEMBL14339036 0.88 PTGDR2 (0.42) PPARDPPARAPPARGPTPN1PTGDR2
SCHEMBL3679163 0.88 PTGDR2 (0.42) PPARDPPARAPPARGPTPN1PTGDR2
SCHEMBL13508254 0.88 PPARD (0.53) PPARDPPARAPPARGPTGDR2
SCHEMBL3691720 0.88 PPARD (0.53) PPARDPPARAPPARGPTGDR2

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