SCHEMBL2845665

SCHEMBL2845665

CNC(=O)c1nn(C)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.47
F2 P00734 3/20 0.47
PLAU P00749 3/20 0.47
CTRB1 P17538 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
HTR3A P46098 2/20 0.42
KLKB1 P03952 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CNR2 P34972 1/20 0.39
MAPT P10636 4/20 0.39

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
SCHEMBL2848565 0.85 ELANE (0.61) ELANEF2PLAUCTRB1L3MBTL1
SCHEMBL2851292 0.85 L3MBTL1 (0.51) ELANEF2PLAUCTRB1L3MBTL1
SCHEMBL3694723 0.85 L3MBTL1 (0.51) ELANEF2PLAUCTRB1L3MBTL1
SCHEMBL31554629 0.81 L3MBTL1 (0.47) ELANEF2PLAUCTRB1L3MBTL1
SCHEMBL11153081 0.79 L3MBTL1 (0.45) ELANEF2PLAUCTRB1L3MBTL1
SCHEMBL2843483 0.79 MAPT (0.51) ELANEF2PLAUCTRB1L3MBTL1
SCHEMBL2844631 0.78 KDM4E (0.46) ELANEHTR3AKDM4EALDH1A1
SCHEMBL3380500 0.76 L3MBTL1 (0.52) ELANEF2PLAUCTRB1L3MBTL1
SCHEMBL31554652 0.75 L3MBTL1 (0.47) ELANEF2PLAUCTRB1L3MBTL1
SCHEMBL31554662 0.75 LMNA (0.44) ELANEF2PLAUCTRB1L3MBTL1

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 11 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-8211923-B2 Substituted arylsulfonylaminomethylphosphonic acid derivatives, their preparation and their use in the treatment of type I and II diabetes mellitus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-03 US disclosed
US-8211923-B2 Substituted arylsulfonylaminomethylphosphonic acid derivatives, their preparation and their use in the treatment of type I and II diabetes mellitus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-03 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-20100210595-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 US disclosed
US-20100210595-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 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-2009016119-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-05 WO 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 (2 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-20100210595-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS G6PC1, PYGL, PPP1CA ELANE 4565/4885F2 3771/4885PLAU 2794/4885
US-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 ELANE 4451/4885F2 4342/4885PLAU 2416/4885

“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.