SCHEMBL20168643

SCHEMBL20168643

CS(=O)(=O)N(CCN1C(=O)c2ccccc2C1=O)CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.49
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
GLS O94925 1/20 0.44
KMT2A Q03164 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASP3 P42574 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL20136969 0.82 MAOB (0.40) MAOBKMT2AALDH1A1SMN1; SMN2
SCHEMBL20087393 0.80 PTGS1 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL14485049 0.73 MAOB (0.65) MAOBCA12CA9ALDH1A1ACHE
SCHEMBL2569807 0.73 ALDH1A1 (0.59) KMT2AALDH1A1SMN1; SMN2
SCHEMBL4952752 0.71 MAOB (0.62) MAOBCA12CA9ALDH1A1SMN1; SMN2
SCHEMBL24218467 0.71 MAOB (0.53) MAOBCA12CA9GLSKMT2A
SCHEMBL135305 0.70 CA12 (0.66) CA12CA9KMT2AALDH1A1SMN1; SMN2
SCHEMBL30098360 0.70 CA12 (0.66) CA12CA9KMT2AALDH1A1SMN1; SMN2
SCHEMBL30839875 0.70 HEXA (0.72) MAOBGLSACHE
SCHEMBL13590076 0.70 HEXA (0.72) MAOBGLSACHE

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
EP-3541821-A1 MAGL INHIBITORS Abide Therapeutics, Inc. (US) 2019-09-25 EP disclosed
WO-2018093947-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed