SCHEMBL2844110

SCHEMBL2844110

CN(C(=O)OC(C)(C)C)C(=O)c1cn(C(=O)OC(C)(C)C)c2cc(N)ccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
NR1H2 P55055 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
EPHX1 P07099 1/20 0.32
KDM1A O60341 1/20 0.31
BRD4 O60885 2/20 0.31
SCN4A P35499 2/20 0.31
SCN3A Q9NY46 2/20 0.31
PIM1 P11309 1/20 0.30
MARK3 P27448 1/20 0.30
MAP4K2 Q12851 1/20 0.30
CAMK2B Q13554 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL2845561 0.90 HTR6 (0.41) HTR6NR1H2L3MBTL1HSP90AA1HSP90AB1
SCHEMBL2841157 0.90 HTR6 (0.42) HTR6NR1H2L3MBTL1HSP90AA1HSP90AB1
SCHEMBL2845246 0.84 L3MBTL1 (0.36) HTR6NR1H2L3MBTL1HSP90AA1HSP90AB1
SCHEMBL14088882 0.84 HTR6 (0.39) HTR6L3MBTL1MEN1KMT2A
SCHEMBL2842447 0.83 ALDH1A1 (0.39) HTR6L3MBTL1BRD4
SCHEMBL2846524 0.81 L3MBTL1 (0.37) HTR6NR1H2L3MBTL1MEN1KMT2A
SCHEMBL29157904 0.78 NR1H2 (0.43) HTR6NR1H2L3MBTL1HSP90AA1HSP90AB1
SCHEMBL2843219 0.77 NR1H2 (0.47) NR1H2L3MBTL1MEN1KMT2AKDM1A
SCHEMBL29331353 0.77 NR1H2 (0.42) HTR6NR1H2L3MBTL1HSP90AA1HSP90AB1
SCHEMBL2844108 0.76 L3MBTL1 (0.39) HTR6NR1H2L3MBTL1BRD4SCN4A

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 8 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
EP-2125718-B1 NEW SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2010-09-15 EP 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 HTR6 2713/4885NR1H2 1558/4885L3MBTL1 3679/4885

“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.