SCHEMBL2164145

SCHEMBL2164145

O=C(O)[C@H](O)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.67
PPARA Q07869 4/20 0.67
FFAR1 O14842 2/20 0.62
FFAR4 Q5NUL3 1/20 0.62
LTA4H P09960 3/20 0.62
LAP3 P28838 1/20 0.62
PPARD Q03181 1/20 0.59
NR4A1 P22736 1/20 0.58
NR4A2 P43354 1/20 0.58
NR4A3 Q92570 1/20 0.58
MAOB P27338 2/20 0.57
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGS2 P35354 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HIF1A Q16665 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56

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
SCHEMBL1069493 1.00 PPARG (0.67) PPARGPPARAFFAR1FFAR4LTA4H
SCHEMBL287969 1.00 PPARG (0.67) PPARGPPARAFFAR1FFAR4LTA4H
SCHEMBL14501335 0.88 MAOB (0.60) PPARGPPARAFFAR1FFAR4LTA4H
SCHEMBL27854776 0.88 LTA4H (0.71) PPARGPPARAFFAR1FFAR4LTA4H
SCHEMBL4756304 0.87 PPARG (0.57) PPARGPPARAFFAR1FFAR4LTA4H
SCHEMBL7801265 0.87 PPARA (0.70) PPARGPPARAFFAR1FFAR4LTA4H
SCHEMBL5309375 0.85 LTA4H (0.72) PPARGPPARAFFAR1FFAR4LTA4H
SCHEMBL10272384 0.85 ALOX5 (0.58) PPARGPPARAFFAR1FFAR4LTA4H
SCHEMBL6732617 0.85 LTA4H (0.72) PPARGPPARAFFAR1FFAR4LTA4H
SCHEMBL2164928 0.85 LTA4H (0.72) PPARGPPARAFFAR1FFAR4LTA4H

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3024816-B1 PPAR-SPARING COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES METABOLIC SOLUTIONS DEV CO LLC (US) 2020-06-03 EP disclosed
US-9562012-B2 PPAR-sparing compounds for the treatment of metabolic diseases METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2017-02-07 US disclosed
US-20160152570-A1 PPAR-SPARING COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES ALZHEIMER'S DRUG DISCOVERY FOUNDATION 2016-06-02 US disclosed
EP-3024816-A1 PPAR-SPARING COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES Metabolic Solutions Development Company LLC (US) 2016-06-01 EP disclosed
US-20160051529-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE AND OTHER METABOLIC DISEASES CIRIUS THERAPEUTICS, INC. 2016-02-25 US disclosed
US-20160051529-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE AND OTHER METABOLIC DISEASES CIRIUS THERAPEUTICS, INC. 2016-02-25 US disclosed
US-20160051529-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE AND OTHER METABOLIC DISEASES CIRIUS THERAPEUTICS, INC. 2016-02-25 US disclosed
EP-2931274-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Metabolic Solutions Development Company LLC (US) 2015-10-21 EP disclosed
WO-2015013187-A1 PPAR-SPARING COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT CO., LLC (US) 2015-01-29 WO disclosed
WO-2014093114-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY LLC (US) 2014-06-19 WO disclosed
US-20090176770-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-09 US disclosed
US-20090111797-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
US-7491717-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-17 US disclosed
US-7479488-B2 Selected CGRP—antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-20 US disclosed
WO-2008010238-A2 ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS LUPIN LIMITED (IN) 2008-01-24 WO disclosed
WO-2008010238-A2 ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS LUPIN LIMITED (IN) 2008-01-24 WO disclosed
CN-1976916-A Selected CGRP-antagonists, method for the production thereof and their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2007-06-06 CN disclosed
EP-1732917-A1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-12-20 EP disclosed
US-20060252750-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 US disclosed
WO-2005092880-A1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 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 (5 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-20090176770-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA PPARG 2294/4885PPARA 3147/4885FFAR1 1012/4885
US-20160051529-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE AND OTHER METABOLIC DISEASES PPARD, PPARG, PPARA PPARG 2/4885PPARA 3/4885FFAR1 45/4885
US-20060252750-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA PPARG 2294/4885PPARA 3147/4885FFAR1 1012/4885
US-20090111797-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA PPARG 2294/4885PPARA 3147/4885FFAR1 1012/4885
US-20160152570-A1 PPAR-SPARING COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885FFAR1 22/4885

“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.