SCHEMBL3304676

SCHEMBL3304676

O=C(O)CN(c1ccc2c(ccn2-c2ccc(NCCO)cn2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
KEAP1 Q14145 6/20 0.34
NFE2L2 Q16236 6/20 0.34
F2 P00734 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PLAU P00749 1/20 0.32
ALDH1A1 P00352 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
ROCK1 Q13464 1/20 0.31

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
SCHEMBL3303262 0.89 IRAK4 (0.32) MAPTKEAP1NFE2L2F2L3MBTL1
SCHEMBL3301519 0.89 KEAP1 (0.33) MAPTKEAP1NFE2L2F2L3MBTL1
SCHEMBL3296209 0.86 KEAP1 (0.35) KEAP1NFE2L2F2PLAUALDH1A1
SCHEMBL3295687 0.86 KEAP1 (0.33) KEAP1NFE2L2L3MBTL1ALDH1A1
SCHEMBL4430338 0.85 KEAP1 (0.43) KEAP1NFE2L2
SCHEMBL13391266 0.85 PLAU (0.36) KEAP1NFE2L2L3MBTL1PLAUALDH1A1
SCHEMBL3302886 0.85 KEAP1 (0.38) KEAP1NFE2L2PLAU
SCHEMBL3303192 0.83 KEAP1 (0.37) KEAP1NFE2L2PLAUIRAK4
SCHEMBL3297213 0.83 KEAP1 (0.36) KEAP1NFE2L2PLAUALDH1A1
SCHEMBL13391255 0.82 PLAU (0.33) KEAP1NFE2L2F2L3MBTL1PLAU

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
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
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 MAPT 947/4885KEAP1 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.