SCHEMBL3300825

SCHEMBL3300825

O=C(O)CN(c1ccc2c(ccn2-c2cnccn2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 11/20 0.38
NFE2L2 Q16236 11/20 0.38
MAPT P10636 2/20 0.35
PLAU P00749 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 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
SCHEMBL10357252 0.88 ALDH1A1 (0.39) KEAP1NFE2L2PLAUALDH1A1L3MBTL1
SCHEMBL13390095 0.88 MAPT (0.34) KEAP1NFE2L2MAPTNPC1HPGD
SCHEMBL4428677 0.86 KEAP1 (0.34) KEAP1NFE2L2PLAUALDH1A1L3MBTL1
SCHEMBL13391160 0.86 ROCK1 (0.35) KEAP1NFE2L2PLAUALDH1A1L3MBTL1
SCHEMBL3304036 0.86 KEAP1 (0.41) KEAP1NFE2L2
SCHEMBL3295616 0.86 PLAU (0.38) KEAP1NFE2L2PLAUALDH1A1L3MBTL1
SCHEMBL3028642 0.86 MAPT (0.33) MAPTHPGD
SCHEMBL3299475 0.86 KDM4C (0.37) KEAP1NFE2L2ALDH1A1L3MBTL1
SCHEMBL3297021 0.86 PLAU (0.36) KEAP1NFE2L2MAPTPLAUNPC1
SCHEMBL3297239 0.86 KEAP1 (0.36) KEAP1NFE2L2PLAUALDH1A1

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 5 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
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 KEAP1 1594/4885NFE2L2 4427/4885MAPT 947/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.