SCHEMBL4432259

SCHEMBL4432259

CN(C)CCNc1cnc(-n2ccc3cc(N(CC(=O)O)S(=O)(=O)c4cc(Br)cc(Br)c4)ccc32)cn1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
KEAP1 Q14145 15/20 0.33
NFE2L2 Q16236 15/20 0.33
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
F2 P00734 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
SCHEMBL4432483 0.96 KEAP1 (0.34) MAPTKEAP1NFE2L2
SCHEMBL4434155 0.95 KEAP1 (0.32) MAPTKEAP1NFE2L2TMEM97SIGMAR1
SCHEMBL13391044 0.92 KEAP1 (0.37) MAPTKEAP1NFE2L2
SCHEMBL3295567 0.91 TMEM97 (0.33) MAPTKEAP1NFE2L2TMEM97SIGMAR1
SCHEMBL13390120 0.90 PKM (0.32) MAPT
Hydrochloric Acid SCHEMBL3300119 0.90 KEAP1 (0.34) MAPTKEAP1NFE2L2TMEM97SIGMAR1
SCHEMBL10317094 0.88 KEAP1 (0.33) KEAP1NFE2L2F2
SCHEMBL10316855 0.88 KEAP1 (0.34) MAPTKEAP1NFE2L2TMEM97SIGMAR1
SCHEMBL13390366 0.86 PKM (0.34) MAPT
SCHEMBL13390132 0.86 IRAK4 (0.31)

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 4 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
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 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.