SCHEMBL936670

SCHEMBL936670

COc1cccc(C(O)COc2ccc(C=O)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.55
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
AOC3 Q16853 2/20 0.50
ALDH1A1 P00352 1/20 0.46
CYP2A6 P11509 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.43
GRIN2B Q13224 1/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41

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
SCHEMBL31572500 0.84 AOC3 (0.59) PPARGCHRM2CHRM1CHRM3L3MBTL1
SCHEMBL936657 0.83 MAOA (0.43) PPARGL3MBTL1ALDH1A1RAB9A
SCHEMBL937208 0.83 ADRB3 (0.48)
SCHEMBL2886168 0.82 PPARG (0.56) PPARGCHRM2CHRM1CHRM3L3MBTL1
SCHEMBL937188 0.82 KMT2A (0.49) ALDH1A1MAPK1NPC1RAB9AKDM4E
SCHEMBL936475 0.82 KMT2A (0.49) ALDH1A1MAPK1NPC1RAB9AKDM4E
SCHEMBL936476 0.82 KMT2A (0.49) ALDH1A1MAPK1NPC1RAB9AKDM4E
SCHEMBL14479923 0.80 L3MBTL1 (0.48) PPARGCHRM2CHRM1CHRM3L3MBTL1
SCHEMBL937364 0.80 PIM1 (0.63) PPARGNPC1RAB9A
SCHEMBL14479922 0.80 L3MBTL1 (0.48) PPARGCHRM2CHRM1CHRM3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3202401-B1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CIRIUS THERAPEUTICS INC (US) 2019-10-23 EP disclosed
EP-2513070-B1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES CIRIUS THERAPEUTICS INC (US) 2017-11-08 EP disclosed
EP-3202401-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Octeta Therapeutics, LLC (US) 2017-08-09 EP disclosed
EP-2512470-B1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OCTETA THERAPEUTICS LLC (US) 2016-11-30 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
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
US-9126959-B2 PPAR-sparing thiazolidinedione salts for the treatment of metabolic diseases METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2015-09-08 US disclosed
US-20150051406-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES CIRIUS THERAPEUTICS, INC. 2015-02-19 US disclosed
US-8912335-B2 PPAR-sparing thiazolidinedione salts for the treatment of metabolic diseases METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2014-12-16 US 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-2011133611-A1 THIAZOLIDINEDIONE ANALOGUES METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2011-10-27 WO disclosed
WO-2011084453-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2011-07-14 WO disclosed
WO-2011084459-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF OBESITY AND OTHER METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2011-07-14 WO disclosed
WO-2011084456-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF DIABETES MELLITUS AND OTHER METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2011-07-14 WO disclosed
WO-2011075514-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2011-06-23 WO disclosed
WO-2010105048-A9 THIAZOLIDINEDIONE ANALOGUES METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2011-01-27 WO disclosed
WO-2010105048-A1 THIAZOLIDINEDIONE ANALOGUES METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2010-09-16 WO disclosed
US-20100222399-A1 Thiazolidinedione Analogues For The Treatment Of Hypertension CIRIUS THERAPEUTICS, INC. 2010-09-02 US disclosed
EP-2203433-A1 THIAZOLIDINEDIONE ANALOGUES FOR THE TREATMENT OF HYPERTENSION Metabolic Solutions Development Company (US) 2010-07-07 EP disclosed
WO-2009038681-A1 THIAZOLIDINEDIONE ANALOGUES FOR THE TREATMENT OF HYPERTENSION METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2009-03-26 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-20100222399-A1 Thiazolidinedione Analogues For The Treatment Of Hypertension AGTR2, ADRB1, ADRB3 PPARG 42/4885CHRM2 1404/4885CHRM1 1851/4885
US-20150051406-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES PPARD, PPARG, PPARA PPARG 2/4885CHRM2 1891/4885CHRM1 2394/4885
US-20160051529-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE AND OTHER METABOLIC DISEASES PPARD, PPARG, PPARA PPARG 2/4885CHRM2 1191/4885CHRM1 1967/4885

“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.