SCHEMBL4432483

SCHEMBL4432483

Cc1cc(Br)cc(S(=O)(=O)N(CC(=O)O)c2ccc3c(ccn3-c3cnc(NCCN(C)C)cn3)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 14/20 0.34
NFE2L2 Q16236 14/20 0.34
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
MAPT P10636 2/20 0.31
PKM P14618 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 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
SCHEMBL4432259 0.96 MAPT (0.34) KEAP1NFE2L2MAPT
SCHEMBL13391044 0.95 KEAP1 (0.37) KEAP1NFE2L2HSP90AA1HSP90AB1MAPT
SCHEMBL4434155 0.92 KEAP1 (0.32) KEAP1NFE2L2MAPT
SCHEMBL10316855 0.91 KEAP1 (0.34) KEAP1NFE2L2HSP90AA1HSP90AB1MAPT
SCHEMBL13390366 0.91 PKM (0.34) MAPTPKMHSD17B10TSHR
SCHEMBL3301534 0.89 KEAP1 (0.35) KEAP1NFE2L2HSP90AA1HSP90AB1MAPT
SCHEMBL3295567 0.88 TMEM97 (0.33) KEAP1NFE2L2MAPT
Hydrochloric Acid SCHEMBL3300119 0.87 KEAP1 (0.34) KEAP1NFE2L2MAPT
SCHEMBL13390120 0.86 PKM (0.32) MAPTPKMHSD17B10
SCHEMBL13390576 0.85 PKM (0.36) MAPTPKMHSD17B10TSHR

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 KEAP1 1594/4885NFE2L2 4427/4885HSP90AA1 2781/4885

“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.