SCHEMBL3296989

SCHEMBL3296989

O=C(O)CN(c1ccc2c(ccn2-c2ccc(=O)[nH]n2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
KEAP1 Q14145 12/20 0.34
NFE2L2 Q16236 12/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
S1PR1 P21453 1/20 0.32

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
SCHEMBL13390652 0.88 PKM (0.35) TP53ALDH1A1
SCHEMBL3026873 0.87 AKR1B1 (0.30) S1PR1
SCHEMBL13391403 0.83 KEAP1 (0.35) KEAP1NFE2L2SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3304243 0.83 TP53 (0.37) TP53KEAP1NFE2L2SMN1; SMN2ALDH1A1
SCHEMBL4432779 0.83 KEAP1 (0.35) KEAP1NFE2L2SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3301072 0.83 KEAP1 (0.39) TP53KEAP1NFE2L2SMN1; SMN2ALDH1A1
SCHEMBL3302235 0.83 KEAP1 (0.36) KEAP1NFE2L2SMN1; SMN2ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL3298188 0.82 KEAP1 (0.34) KEAP1NFE2L2SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL4430338 0.82 KEAP1 (0.43) KEAP1NFE2L2SMN1; SMN2
SCHEMBL13391266 0.82 PLAU (0.36) KEAP1NFE2L2ALDH1A1L3MBTL1S1PR1

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 6 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
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 TP53 3881/4885KEAP1 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.