SCHEMBL6419166

SCHEMBL6419166

CCOC(=O)[C@@H](Cc1ccc(O)cc1)OCC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.54
ESR1 P03372 4/20 0.47
ESR2 Q92731 4/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
PPARG P37231 7/20 0.47
PPARD Q03181 3/20 0.47
PTGS2 P35354 2/20 0.45
BACE1 P56817 1/20 0.45
SLC7A5 Q01650 1/20 0.42

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
SCHEMBL977514 1.00 PPARA (0.54) PPARAESR1ESR2CA12CA1
SCHEMBL977513 1.00 PPARA (0.54) PPARAESR1ESR2CA12CA1
SCHEMBL5379694 0.89 ESR1 (0.45) PPARAESR1ESR2CA12CA1
SCHEMBL5379702 0.89 ESR1 (0.45) PPARAESR1ESR2CA12CA1
SCHEMBL14501971 0.89 PPARA (0.50) PPARAESR1ESR2CA12CA1
SCHEMBL3535227 0.89 ESR1 (0.58) PPARAESR1ESR2PPARGPPARD
SCHEMBL3535230 0.89 ESR1 (0.58) PPARAESR1ESR2PPARGPPARD
SCHEMBL2554435 0.88 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL5360147 0.87 ESR1 (0.51) PPARAESR1ESR2CA12CA1
SCHEMBL3965096 0.87 PPARA (0.50) PPARAPPARGPPARD

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 18 patents. 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-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
US-20160152570-A1 PPAR-SPARING COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES ALZHEIMER'S DRUG DISCOVERY FOUNDATION 2016-06-02 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
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
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
WO-2012177956-A1 PPAR-SPARING COMPOUNDS FOR USE IN THE TREATMENT OF DIABETES AND OTHER METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMAPNY, LLC (US) 2012-12-27 WO disclosed
WO-2012177956-A1 PPAR-SPARING COMPOUNDS FOR USE IN THE TREATMENT OF DIABETES AND OTHER METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMAPNY, LLC (US) 2012-12-27 WO disclosed
US-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2010-03-11 US disclosed
US-6972294-B1 Compounds, their preparation and use NOVO NORDISK, A/S (DK) 2005-12-06 US disclosed
EP-1171414-A1 COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-16 EP disclosed
WO-2000063153-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 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 (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-20160051529-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE AND OTHER METABOLIC DISEASES PPARD, PPARG, PPARA PPARA 3/4885ESR1 543/4885ESR2 187/4885
US-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PPARA, PPARG, PPARD PPARA 1/4885ESR1 1636/4885ESR2 799/4885
US-20160152570-A1 PPAR-SPARING COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES PPARG, PPARA, PPARD PPARA 2/4885ESR1 1274/4885ESR2 638/4885

“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.