SCHEMBL14213612

SCHEMBL14213612

O=C1CC(=O)C(Cc2ccc(OCC(O)c3ccc(OC(F)(F)F)cc3)cc2)S1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.43
FFAR1 O14842 6/20 0.38
CASR P41180 1/20 0.36
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.33
VNN1 O95497 1/20 0.33
CYP26A1 O43174 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL14213598 1.00 PPARG (0.43) PPARGFFAR1CASRPTGS2ALDH1A1
SCHEMBL14213586 1.00 PPARG (0.43) PPARGFFAR1CASRPTGS2ALDH1A1
SCHEMBL14213641 0.88 PPARG (0.45) PPARGFFAR1CYP3A4CYP26A1CYP26B1
SCHEMBL14213583 0.88 PPARG (0.45) PPARGFFAR1CYP3A4CYP26A1CYP26B1
SCHEMBL14213596 0.88 PPARG (0.45) PPARGFFAR1CYP3A4CYP26A1CYP26B1
SCHEMBL14733602 0.88 PPARG (0.51) PPARGFFAR1ALDH1A1CYP3A4CYP26A1
SCHEMBL14733601 0.88 PPARG (0.51) PPARGFFAR1ALDH1A1CYP3A4CYP26A1
SCHEMBL14213595 0.86 PPARG (0.45) PPARGFFAR1ALDH1A1CYP3A4TP53
SCHEMBL14213574 0.86 PPARG (0.55) PPARGFFAR1ALDH1A1CYP3A4CYP26A1
SCHEMBL14213616 0.86 PPARG (0.55) PPARGFFAR1ALDH1A1CYP3A4CYP26A1

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 75/4885CASR 3625/4885
US-20120309975-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES PPARD, PPARG, PPARA PPARG 2/4885FFAR1 51/4885CASR 2541/4885
US-20150051406-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES PPARD, PPARG, PPARA PPARG 2/4885FFAR1 51/4885CASR 2541/4885
US-20160051529-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE AND OTHER METABOLIC DISEASES PPARD, PPARG, PPARA PPARG 2/4885FFAR1 45/4885CASR 2551/4885
US-20120316138-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF OBESITY AND OTHER METABOLIC DISEASES PPARD, PPARA, PPARG PPARG 3/4885FFAR1 45/4885CASR 3442/4885
US-20120322728-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF DIABETES MELLITUS AND OTHER METABOLIC DISEASES GLP1R, PPARD, PPARA PPARG 4/4885FFAR1 44/4885CASR 3730/4885

“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.