SCHEMBL3298992

SCHEMBL3298992

CS(=O)(=O)NCCNc1cnc(-n2ccc3cc(N(CC(=O)O)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc32)cn1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.34
KEAP1 Q14145 11/20 0.33
NFE2L2 Q16236 11/20 0.33
IRAK4 Q9NWZ3 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
F2 P00734 1/20 0.31
PLAU P00749 1/20 0.30

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
SCHEMBL3301519 0.91 KEAP1 (0.33) KEAP1NFE2L2IRAK4F2PLAU
SCHEMBL3300747 0.91 MAPT (0.33) KEAP1NFE2L2IRAK4F2PLAU
SCHEMBL3295567 0.90 TMEM97 (0.33) KEAP1NFE2L2IRAK4F2PLAU
SCHEMBL13391255 0.90 PLAU (0.33) KEAP1NFE2L2IRAK4F2PLAU
Hydrochloric Acid SCHEMBL3300119 0.89 KEAP1 (0.34) KEAP1NFE2L2IRAK4F2PLAU
SCHEMBL3033875 0.89 IRAK4 (0.32) KDM4DIRAK4
SCHEMBL3304059 0.87 KEAP1 (0.33) KEAP1NFE2L2IRAK4SMN1; SMN2
SCHEMBL10317092 0.87 IRAK4 (0.33) KEAP1NFE2L2IRAK4F2
SCHEMBL3298994 0.87 KEAP1 (0.34) KEAP1NFE2L2IRAK4SMN1; SMN2PLAU
SCHEMBL10316855 0.86 KEAP1 (0.34) KEAP1NFE2L2

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
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
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 KDM4D 1159/4885KEAP1 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.