SCHEMBL2334467

SCHEMBL2334467

CCOC(COc1ccc(Cl)cc1)OCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.46
FFAR1 O14842 1/20 0.43
NQO1 P15559 1/20 0.43
CYP1A2 P05177 1/20 0.42
SIGMAR1 Q99720 4/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAOB P27338 1/20 0.39
CACNA1G O43497 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 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
SCHEMBL17400969 0.86 NQO1 (0.61) NQO1ALDH1A1MAPT
SCHEMBL16519363 0.84 NQO1 (0.46) NQO1CYP1A2ALDH1A1MAOBMAPT
SCHEMBL14952746 0.83 KMT2A (0.44) FFAR1NQO1ALDH1A1MAPK1MAPT
SCHEMBL8344905 0.83 DRD4 (0.37) SCN4AFFAR1SIGMAR1MAPK1KCNH2
SCHEMBL5779539 0.82 USP2 (0.45) FFAR1NQO1CYP1A2PPARGPPARA
SCHEMBL1951190 0.82 CYP2C9 (0.50) NQO1ALDH1A1MAPK1MAPT
SCHEMBL3776385 0.81 LTA4H (0.48) NQO1CYP1A2ALDH1A1MAPK1
SCHEMBL20539545 0.81 APP (0.44) NQO1PPARA
SCHEMBL2329756 0.81 CYP1A2 (0.47) NQO1CYP1A2MAOB
SCHEMBL17400983 0.81 NQO1 (0.43) NQO1PPARAALDH1A1MAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681207-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2016-12-28 EP disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
EP-2681207-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK Bioenergenix (US) 2014-01-08 EP disclosed
US-20130046103-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES MAPI PHARMA LIMITED (IL) 2013-02-21 US disclosed
EP-2533636-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES Mapi Pharma Limited (IL) 2012-12-19 EP disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US disclosed
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-13 US disclosed
WO-2012119046-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-07 WO disclosed
WO-2012119046-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-07 WO disclosed
WO-2011099010-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES MAPI PHARMA HOLDINGS (CYPRUS) LIMITED (CY) 2011-08-18 WO disclosed
WO-2004069829-A1 (2S)-2-((PYRIMIDIN-4-YL)AMINO)-4-METHYLPENTANOIC ACID AMINOETHYLAMID DERIVATIVES AS IL-8 RECEPTOR MODULATORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND RHEUMATOID ARTHRITIS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-19 WO disclosed
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP disclosed
US-4511575-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4511576-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4351843-A LOWERING BLOOD GLUCOSE PFIZER INC. (US) 1982-09-28 US disclosed
US-4282242-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1981-08-04 US 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 (3 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-20130046103-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES CYP2F1, CYP4F3, CYP2D6 SCN4A 764/4885FFAR1 3093/4885NQO1 242/4885
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH SCN4A 664/4885FFAR1 1851/4885NQO1 910/4885
US-20120232056-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 SCN4A 3748/4885FFAR1 3260/4885NQO1 721/4885

“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.