SCHEMBL14213595

SCHEMBL14213595

O=C1CC(=O)C(Cc2ccc(OC[C@H](O)c3ccc(Cl)cc3)cc2)S1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.45
FFAR1 O14842 4/20 0.42
MAPK1 P28482 1/20 0.39
CACNA1G O43497 2/20 0.39
KCNH2 Q12809 2/20 0.39
TSHR P16473 2/20 0.38
DRD4 P21917 1/20 0.38
CYP1A2 P05177 1/20 0.36
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL14213628 1.00 PPARG (0.45) PPARGFFAR1MAPK1CACNA1GKCNH2
SCHEMBL14213582 1.00 PPARG (0.45) PPARGFFAR1MAPK1CACNA1GKCNH2
SCHEMBL14213641 0.89 PPARG (0.45) PPARGFFAR1CACNA1GKCNH2TSHR
SCHEMBL14213583 0.89 PPARG (0.45) PPARGFFAR1CACNA1GKCNH2TSHR
SCHEMBL14733601 0.89 PPARG (0.51) PPARGFFAR1TSHRCYP1A2TP53
SCHEMBL14733602 0.89 PPARG (0.51) PPARGFFAR1TSHRCYP1A2TP53
SCHEMBL14213590 0.89 PPARG (0.55) PPARGFFAR1TSHRDRD4CYP1A2
SCHEMBL14213616 0.89 PPARG (0.55) PPARGFFAR1TSHRDRD4CYP1A2
SCHEMBL14213574 0.89 PPARG (0.55) PPARGFFAR1TSHRDRD4CYP1A2
SCHEMBL14213596 0.89 PPARG (0.45) PPARGFFAR1CACNA1GKCNH2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20130053350-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2013-02-28 US disclosed
US-20120322728-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF DIABETES MELLITUS AND OTHER METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2012-12-20 US disclosed
US-20120316138-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF OBESITY AND OTHER METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2012-12-13 US disclosed
US-20120309975-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY LLC (US) 2012-12-06 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 (6 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-20130053350-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PPARD, PPARG, PPARA PPARG 2/4885FFAR1 75/4885MAPK1 3526/4885
US-20120309975-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES PPARD, PPARG, PPARA PPARG 2/4885FFAR1 51/4885MAPK1 2037/4885
US-20150051406-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES PPARD, PPARG, PPARA PPARG 2/4885FFAR1 51/4885MAPK1 2037/4885
US-20160051529-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE AND OTHER METABOLIC DISEASES PPARD, PPARG, PPARA PPARG 2/4885FFAR1 45/4885MAPK1 3677/4885
US-20120316138-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF OBESITY AND OTHER METABOLIC DISEASES PPARD, PPARA, PPARG PPARG 3/4885FFAR1 45/4885MAPK1 2174/4885
US-20120322728-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF DIABETES MELLITUS AND OTHER METABOLIC DISEASES GLP1R, PPARD, PPARA PPARG 4/4885FFAR1 44/4885MAPK1 2686/4885

“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.