SCHEMBL4427128

SCHEMBL4427128

O=C(O)CN(c1ccc2c(ccn2-c2ccc(N3CCOCC3)cc2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.42
KEAP1 Q14145 4/20 0.41
NFE2L2 Q16236 4/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL10316911 0.91 KEAP1 (0.41) ACLYKEAP1NFE2L2ALDH1A1TSHR
SCHEMBL3298940 0.90 KEAP1 (0.38) ACLYKEAP1NFE2L2ALDH1A1TSHR
SCHEMBL3300144 0.89 KEAP1 (0.38) ACLYKEAP1NFE2L2ALDH1A1TSHR
SCHEMBL13390338 0.88 ALDH1A1 (0.37) ACLYKEAP1NFE2L2ALDH1A1TSHR
SCHEMBL4430841 0.88 KEAP1 (0.39) ACLYKEAP1NFE2L2ALDH1A1TSHR
SCHEMBL3300029 0.87 KEAP1 (0.40) ACLYKEAP1NFE2L2ALDH1A1TSHR
SCHEMBL13391139 0.84 L3MBTL1 (0.38) KEAP1NFE2L2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL13391061 0.83 KEAP1 (0.44) KEAP1NFE2L2ALDH1A1L3MBTL1
SCHEMBL13391328 0.82 HPGD (0.41) ALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL3302803 0.81 KEAP1 (0.37) KEAP1NFE2L2ALDH1A1SMN1; SMN2L3MBTL1

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 ACLY 297/4885KEAP1 1594/4885NFE2L2 4427/4885

“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.