SCHEMBL13508324

SCHEMBL13508324

CCCN(CCOc1ccc(C[C@H](OC)C(=O)O)cc1)S(=O)(=O)c1sc2ccc(F)cc2c1C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.43
PPARA Q07869 13/20 0.43
PPARD Q03181 9/20 0.43
CMA1 P23946 4/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
FNTA P49354 1/20 0.35
PGGT1B P53609 1/20 0.35

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
SCHEMBL3687326 1.00 PPARG (0.43) PPARGPPARAPPARDCMA1PTGES
SCHEMBL13508325 0.93 CMA1 (0.37) PPARGPPARAPPARDCMA1PTGES
SCHEMBL3693308 0.93 CMA1 (0.37) PPARGPPARAPPARDCMA1PTGES
SCHEMBL13509514 0.90 CMA1 (0.40) PPARGPPARAPPARDCMA1PTGES
SCHEMBL3684613 0.78 PPARG (0.34) PPARGPPARAPPARDCMA1
SCHEMBL3686749 0.77 PPARG (0.43) PPARGPPARAPPARDCMA1
SCHEMBL13509470 0.77 CMA1 (0.34) PPARGPPARACMA1
SCHEMBL3686996 0.77 CMA1 (0.37) PPARGPPARAPPARDCMA1
SCHEMBL13508598 0.77 CMA1 (0.43) CMA1
SCHEMBL3689003 0.76 CMA1 (0.42) CMA1

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 2 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