SCHEMBL2840591

SCHEMBL2840591

Cn1cc(C(=O)Nc2ccccc2)c2ccc(N(CC(=O)O)S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 1/20 0.42
MAOB P27338 2/20 0.42
KEAP1 Q14145 4/20 0.42
NFE2L2 Q16236 4/20 0.42
MAPT P10636 4/20 0.40
HTT P42858 2/20 0.40
PLAU P00749 1/20 0.40
GPR27 Q9NS67 1/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 2/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL11948442 0.89 CACNA1H (0.39) MEN1KMT2ARAB9AMAOBKEAP1
SCHEMBL2845908 0.89 KEAP1 (0.41) MEN1KMT2AKEAP1NFE2L2MAPT
SCHEMBL2844185 0.89 CPT1A (0.40) MEN1KMT2AKEAP1NFE2L2MAPT
SCHEMBL2845985 0.88 POLB (0.51) MEN1KMT2AKEAP1NFE2L2MAPT
SCHEMBL2845776 0.85 KEAP1 (0.43) MEN1KMT2AKEAP1NFE2L2PLAU
SCHEMBL2847614 0.85 ALDH1A1 (0.41) KEAP1NFE2L2MAPTPLAUTP53
SCHEMBL2844173 0.84 KEAP1 (0.42) MEN1KMT2AKEAP1NFE2L2PLAU
SCHEMBL2842920 0.84 KEAP1 (0.40) MEN1KMT2AKEAP1NFE2L2MAPT
SCHEMBL2845444 0.83 PLAU (0.42) MEN1KMT2AKEAP1NFE2L2PLAU
SCHEMBL2841927 0.83 MEN1 (0.47) MEN1KMT2AKEAP1NFE2L2MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232312-B2 Substituted arylsulphonylglycines, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
US-8232312-B2 Substituted arylsulphonylglycines, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
US-8232312-B2 Substituted arylsulphonylglycines, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
US-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 US disclosed
US-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 US disclosed
US-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 US disclosed
WO-2008113760-A2 ARYLSULPHONYGLYCINE DERIVATIVES AS SUPPRESSORS OF THE INTERACTION OF GLYCOGEN PHOSPHORYLASE A WITH THE GL SUBUNIT OF GLYCOGEN-ASSOCIATED PROTEIN PHOSPHATASE 1 (PPL) FOR THE TREATMENT OF METABOLIC DISORDERS, PARTICULARY DIABETES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-25 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-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 MEN1 4541/4885KMT2A 2413/4885RAB9A 1862/4885

“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.