SCHEMBL4435332

SCHEMBL4435332

Cc1c(C)n(-c2ccc(NCCN(C)C)nn2)c2ccc(N(CC(=O)O)S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 13/20 0.34
NFE2L2 Q16236 13/20 0.34
PPARG P37231 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAT2A P31153 1/20 0.30
OXTR P30559 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
Hydrochloric Acid SCHEMBL3295585 0.99 KEAP1 (0.35) KEAP1NFE2L2PPARGSMN1; SMN2MAPT
SCHEMBL13390236 0.90 PKM (0.32)
SCHEMBL4428680 0.87 KEAP1 (0.35) KEAP1NFE2L2PPARGSMN1; SMN2MAPT
SCHEMBL3305366 0.86 KEAP1 (0.34) KEAP1NFE2L2PPARGSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL3300534 0.86 KEAP1 (0.36) KEAP1NFE2L2PPARGSMN1; SMN2MAPT
SCHEMBL13391104 0.85 KEAP1 (0.33) KEAP1NFE2L2PPARGSMN1; SMN2MAPT
SCHEMBL3301356 0.85
SCHEMBL3301413 0.84 KEAP1 (0.32) KEAP1NFE2L2
SCHEMBL3299427 0.83 KEAP1 (0.33) KEAP1NFE2L2PPARGSMN1; SMN2
SCHEMBL10317404 0.83 L3MBTL1 (0.35) KEAP1NFE2L2MAPTTSHR

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 KEAP1 1594/4885NFE2L2 4427/4885PPARG 1748/4885

“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.