SCHEMBL13508266

SCHEMBL13508266

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.42
PPARD Q03181 9/20 0.40
MAPT P10636 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PTPN1 P18031 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PTGDR Q13258 1/20 0.37

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
SCHEMBL3679163 1.00 PTGDR2 (0.42) PTGDR2PPARDMAPTPPARGPPARA
SCHEMBL13508255 0.93 PPARD (0.46) PTGDR2PPARDPPARGPPARAPTPN1
SCHEMBL3690133 0.93 PPARD (0.46) PTGDR2PPARDPPARGPPARAPTPN1
SCHEMBL3686363 0.92 MAPT (0.39) PTGDR2MAPTL3MBTL1
SCHEMBL13508366 0.92 MAPT (0.39) PTGDR2MAPTL3MBTL1
SCHEMBL14339036 0.90 PTGDR2 (0.42) PTGDR2PPARDPPARGPPARAPTPN1
SCHEMBL3693445 0.89 PTGDR2 (0.42) PTGDR2PPARDPPARGPPARAPTPN1
SCHEMBL13508273 0.89 PTGDR2 (0.42) PTGDR2PPARDPPARGPPARAPTPN1
SCHEMBL3691327 0.89 PPARD (0.47) PTGDR2PPARDMAPTPPARGPPARA
SCHEMBL13508270 0.89 PPARD (0.47) PTGDR2PPARDMAPTPPARGPPARA

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