SCHEMBL27751900

SCHEMBL27751900

CC(C)(C)OOC(=O)c1ccc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2cccc(Cl)c2)CCS3)cc1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 13/20 0.75
CPT1B Q92523 11/20 0.75
CPT2 P23786 7/20 0.75
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
PPARG P37231 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NR2E3 Q9Y5X4 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL751968 0.92 CPT1A (0.77) CPT1ACPT1BCPT2NPC1RAB9A
SCHEMBL27731296 0.87 CPT1A (0.75) CPT1ACPT1BCPT2NPC1RAB9A
SCHEMBL30016367 0.86 CPT1A (1.00) CPT1ACPT1BCPT2NPC1RAB9A
SCHEMBL751881 0.86 CPT1A (1.00) CPT1ACPT1BCPT2NPC1RAB9A
SCHEMBL752891 0.82 CPT1A (0.63) CPT1ACPT1BCPT2KDM4E
SCHEMBL755264 0.81 CPT1A (0.69) CPT1ACPT1BCPT2NPC1RAB9A
SCHEMBL752547 0.78 CPT1A (0.77) CPT1ACPT1BCPT2NPC1RAB9A
SCHEMBL27751899 0.78 CPT1A (0.59) CPT1ACPT1BCPT2MAPTSMN1; SMN2
SCHEMBL751559 0.78 CPT1A (0.82) CPT1ACPT1BCPT2
SCHEMBL751878 0.77 CPT1A (0.80) CPT1ACPT1BCPT2MAPT

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
CN-101379044-B Heterobicyclic sulfonamide derivatives for the treatment of diabetes HOFFMANN LA ROCHE 2012-04-11 CN disclosed
CN-101379044-A Heterobicyclic sulfonamide derivatives for the treatment of diabetes HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed