SCHEMBL3303601

SCHEMBL3303601

N#Cc1ccccc1-n1ccc2cc(N(CC(=O)O)S(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
S1PR1 P21453 1/20 0.36
KEAP1 Q14145 12/20 0.36
NFE2L2 Q16236 12/20 0.36
APAF1 O14727 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL13390486 0.88 TSHR (0.34) ALDH1A1S1PR1APAF1MAPTHTT
SCHEMBL3301228 0.86 KEAP1 (0.42) ALDH1A1L3MBTL1S1PR1KEAP1NFE2L2
SCHEMBL3300551 0.86 F2 (0.35) ALDH1A1L3MBTL1S1PR1KEAP1NFE2L2
SCHEMBL3303812 0.84 CYP1A2 (0.35) ALDH1A1L3MBTL1S1PR1KEAP1NFE2L2
SCHEMBL3303303 0.82 ALDH1A1 (0.35) ALDH1A1L3MBTL1S1PR1KEAP1NFE2L2
SCHEMBL4565916 0.82 F2 (0.33) ALDH1A1L3MBTL1KEAP1NFE2L2MAPT
SCHEMBL3299069 0.82 PLAU (0.35) ALDH1A1L3MBTL1KEAP1NFE2L2
SCHEMBL13409211 0.81 KMT2A (0.33)
SCHEMBL13391061 0.81 KEAP1 (0.44) ALDH1A1L3MBTL1S1PR1KEAP1NFE2L2
SCHEMBL3298487 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1S1PR1KEAP1NFE2L2

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 ALDH1A1 1848/4885L3MBTL1 3235/4885S1PR1 2168/4885

“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.