SCHEMBL3301581

SCHEMBL3301581

NC(=O)c1cnc(-n2ccc3cc(N(CC(=O)O)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc32)cn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.37
KEAP1 Q14145 8/20 0.33
NFE2L2 Q16236 8/20 0.33
F2 P00734 4/20 0.33
ALDH1A1 P00352 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ROCK2 O75116 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 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
SCHEMBL3295616 0.90 PLAU (0.38) PLAUKEAP1NFE2L2F2ALDH1A1
SCHEMBL3298163 0.89 IRAK4 (0.34) PLAUKEAP1NFE2L2F2
SCHEMBL13390182 0.89 IRAK4 (0.33)
SCHEMBL3028987 0.88 IRAK4 (0.32) PTPN22ROCK2PIM1PIM3
SCHEMBL3297239 0.87 KEAP1 (0.36) PLAUKEAP1NFE2L2ALDH1A1
SCHEMBL13391266 0.86 PLAU (0.36) PLAUKEAP1NFE2L2ALDH1A1L3MBTL1
SCHEMBL3303882 0.86 KEAP1 (0.41) KEAP1NFE2L2ALDH1A1
SCHEMBL13391597 0.86 HSP90AA1 (0.34) PLAUKEAP1NFE2L2ALDH1A1
SCHEMBL3299069 0.85 PLAU (0.35) PLAUKEAP1NFE2L2ALDH1A1L3MBTL1
SCHEMBL3300036 0.85 KEAP1 (0.35) PLAUKEAP1NFE2L2F2ALDH1A1

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 PLAU 3104/4885KEAP1 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.