SCHEMBL13508488

SCHEMBL13508488

COCCN(CCOc1ccc(OC(C)(C)C(=O)O)cc1)S(=O)(=O)c1ccc(-c2ccnc(SC)n2)s1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.41
GABRA1 P14867 1/20 0.40
MMP8 P22894 4/20 0.38
MMP3 P08254 2/20 0.38
PPARG P37231 10/20 0.36
CCKBR P32239 1/20 0.35
PPARA Q07869 10/20 0.35
PPARD Q03181 4/20 0.34
PFKFB4 Q16877 1/20 0.34

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
SCHEMBL13508503 0.85 PFKFB3 (0.41) PFKFB3GABRA1MMP8MMP3PPARG
SCHEMBL13508450 0.84 PPARG (0.42) PFKFB3GABRA1MMP8MMP3PPARG
SCHEMBL13508487 0.84 PPARG (0.42) PFKFB3PPARGPPARAPPARD
SCHEMBL13508496 0.71 CYP1A2 (0.48) MMP8MMP3PPARGPPARAPPARD
SCHEMBL2197561 0.69 GABRA1 (0.59) PFKFB3GABRA1MMP8MMP3CCKBR
SCHEMBL13508500 0.68 PPARG (0.44) PPARGPPARAPPARD
SCHEMBL13508430 0.68 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL13508556 0.67 PTPN7 (0.44) PPARGPPARAPPARD
SCHEMBL3683822 0.67 PFKFB3 (0.41) PFKFB3GABRA1MMP8MMP3PPARG
SCHEMBL13508433 0.67 PPARA (0.43) PPARGPPARAPPARD

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