SCHEMBL2845669

SCHEMBL2845669

CC(C)(C)OC(=O)n1cc(C(=O)NC(=O)OC(C)(C)CCc2ccccc2)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
MAPT P10636 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CDK2 P24941 2/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2846521 0.86 ACHE (0.36) MEN1KMT2AACHE
SCHEMBL2842443 0.78 MAPT (0.39) MAPTRAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL2844579 0.78 NR1H2 (0.37) ACHE
SCHEMBL2845670 0.77 CTSB (0.39) ITGA4ITGB7LMNAALDH1A1MEN1
SCHEMBL2846669 0.76 KCNMA1 (0.42) MAPTALDH1A1PKMMEN1KMT2A
SCHEMBL2845690 0.74 L3MBTL1 (0.47) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL2846671 0.73 ALDH1A1 (0.36) ITGA4ITGB7MAPTLMNAALDH1A1
SCHEMBL2842431 0.72 MAPT (0.40) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL2840314 0.71 ALDH1A1 (0.55) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL2842447 0.71 ALDH1A1 (0.39) MAPTNPC1RAB9ALMNAALDH1A1

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
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
EP-2125718-A2 NEW SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-12-02 EP 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 ITGA4 3367/4885ITGB7 3792/4885MAPT 911/4885

“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.