SCHEMBL13508262

SCHEMBL13508262

CCCc1ccc(S(=O)(=O)N(CCC)C[C@@H](C)Sc2ccc(OCC(=O)O)c(C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.42
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
PPARA Q07869 3/20 0.40
PPARG P37231 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL3683369 1.00 PPARD (0.42) PPARDPTPN1ALDH1A1GAAPPARA
SCHEMBL13508271 0.95 PPARD (0.42) PPARDPTPN1ALDH1A1GAAPPARA
SCHEMBL3682400 0.95 PPARD (0.42) PPARDPTPN1ALDH1A1GAAPPARA
SCHEMBL13508354 0.91 PTPN1 (0.45) PPARDPTPN1GAAPPARAPPARG
SCHEMBL3691327 0.90 PPARD (0.47) PPARDPTPN1PPARAPPARGCA12
SCHEMBL13508270 0.90 PPARD (0.47) PPARDPTPN1PPARAPPARGCA12
SCHEMBL13508254 0.88 PPARD (0.53) PPARDPPARAPPARGPTGDR2
SCHEMBL3691720 0.88 PPARD (0.53) PPARDPPARAPPARGPTGDR2
SCHEMBL3693445 0.88 PTGDR2 (0.42) PPARDPTPN1PPARAPPARGPTGDR2
SCHEMBL13508273 0.88 PTGDR2 (0.42) PPARDPTPN1PPARAPPARGPTGDR2

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