SCHEMBL13508312

SCHEMBL13508312

Cc1c(S(=O)(=O)NCCC(C)(C)C)sc2ccc(Cl)cc12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CMA1 P23946 6/20 0.53
PFKFB3 Q16875 7/20 0.51
PFKFB4 Q16877 7/20 0.51
HTR6 P50406 3/20 0.46
AKR1B1 P15121 1/20 0.46
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
ADRA1B P35368 1/20 0.45
DRD3 P35462 1/20 0.45
HTR4 Q13639 1/20 0.45

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
SCHEMBL3686782 0.86 NPSR1 (0.62) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL2953838 0.85 NPSR1 (0.60) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL3688033 0.84 CMA1 (0.59) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL13508313 0.83 NPSR1 (0.58) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL3694228 0.83 CMA1 (0.58) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL13508317 0.83 NPSR1 (0.58) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL13509384 0.81 NPSR1 (0.56) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL3680145 0.79 NPSR1 (0.69) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL3686019 0.78 NPSR1 (0.58) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL337593 0.77 NPSR1 (0.62) NPSR1L3MBTL1CMA1PFKFB3PFKFB4

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
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed