SCHEMBL4440902

SCHEMBL4440902

O=C(O)CN(c1ccc2c(ccn2-c2ccc(OCc3ccccc3)nn2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 20/20 0.43
NFE2L2 Q16236 20/20 0.43

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
SCHEMBL4565994 0.92 KEAP1 (0.38) KEAP1NFE2L2
SCHEMBL13390781 0.91 GPR119 (0.38) KEAP1NFE2L2
SCHEMBL3297170 0.90 KEAP1 (0.36) KEAP1NFE2L2
SCHEMBL4439278 0.87 KEAP1 (0.36) KEAP1NFE2L2
SCHEMBL3301080 0.86 KEAP1 (0.32) KEAP1NFE2L2
SCHEMBL4432779 0.85 KEAP1 (0.35) KEAP1NFE2L2
SCHEMBL3299982 0.83 ROCK1 (0.33) KEAP1NFE2L2
SCHEMBL3301072 0.83 KEAP1 (0.39) KEAP1NFE2L2
SCHEMBL13391403 0.83 KEAP1 (0.35) KEAP1NFE2L2
Hydrochloric Acid SCHEMBL3298188 0.82 KEAP1 (0.34) KEAP1NFE2L2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
EP-2121600-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-11-25 EP disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 WO disclosed