SCHEMBL2842280

SCHEMBL2842280

NC(=O)C1CN(C(=O)O)c2cccc(N)c21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOTUM Q6P988 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
MMP2 P08253 1/20 0.31
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 1/20 0.31

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
SCHEMBL2850766 0.79 SIRT2 (0.42) SIRT1SIRT2NPC1L3MBTL1MEN1
SCHEMBL2850031 0.70 MAPT (0.38) NOTUMMEN1KMT2APOLBHPGD
SCHEMBL31378007 0.66 NOTUM (0.51) NOTUMPOLBPRKACAPRKACGPRKACB
SCHEMBL3703566 0.65 SIRT1 (0.42) SIRT1SIRT2NOTUMGLA
SCHEMBL29229950 0.63 UCHL1 (0.33) SIRT1SIRT2L3MBTL1NOTUMLMNA
SCHEMBL17700047 0.63 BTK (0.33) SIRT1SIRT2
SCHEMBL7263603 0.62 SIRT1 (0.40) SIRT1SIRT2
SCHEMBL23123178 0.61 GRM1 (0.40)
SCHEMBL6584363 0.60 MMP2 (0.36) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL24377961 0.60 NOTUM (0.48) SIRT1SIRT2NPC1RAB9ANOTUM

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
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
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 SIRT1 2613/4885SIRT2 3844/4885NPC1 3685/4885

“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.