SCHEMBL14213632

SCHEMBL14213632

O=C(O)CCC(=O)O[C@H](COc1ccc(CC2SC(=O)CC2=O)cc1)c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.39
PPARG P37231 2/20 0.37
ADRB3 P13945 8/20 0.37
ADRB1 P08588 5/20 0.37
ADRB2 P07550 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GLA P06280 1/20 0.34

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
SCHEMBL14213635 1.00 FFAR1 (0.39) FFAR1PPARGADRB3ADRB1ADRB2
SCHEMBL14733584 0.95 FFAR1 (0.40) FFAR1PPARGADRB3ADRB1ADRB2
SCHEMBL14733585 0.95 FFAR1 (0.40) FFAR1PPARGADRB3ADRB1ADRB2
SCHEMBL14213669 0.91 FFAR1 (0.41) FFAR1PPARGADRB3ADRB1ADRB2
SCHEMBL14213622 0.89 PPARG (0.50) FFAR1PPARGCYP2D6CYP2C9
SCHEMBL14213624 0.89 PPARG (0.50) FFAR1PPARGCYP2D6CYP2C9
SCHEMBL14213735 0.89 PPARG (0.50) FFAR1PPARGCYP2D6CYP2C9
SCHEMBL14213630 0.89 PPARG (0.41) FFAR1PPARGADRB3ADRB1ADRB2
SCHEMBL14213708 0.89 PPARG (0.41) FFAR1PPARGADRB3ADRB1ADRB2
SCHEMBL6928455 0.86 FFAR1 (0.54) FFAR1PPARGCYP2C9

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 FFAR1 75/4885PPARG 2/4885ADRB3 158/4885
US-20120309975-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES PPARD, PPARG, PPARA FFAR1 51/4885PPARG 2/4885ADRB3 174/4885
US-20150051406-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES PPARD, PPARG, PPARA FFAR1 51/4885PPARG 2/4885ADRB3 174/4885
US-20160051529-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE AND OTHER METABOLIC DISEASES PPARD, PPARG, PPARA FFAR1 45/4885PPARG 2/4885ADRB3 320/4885
US-20120316138-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF OBESITY AND OTHER METABOLIC DISEASES PPARD, PPARA, PPARG FFAR1 45/4885PPARG 3/4885ADRB3 80/4885
US-20120322728-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF DIABETES MELLITUS AND OTHER METABOLIC DISEASES GLP1R, PPARD, PPARA FFAR1 44/4885PPARG 4/4885ADRB3 261/4885

“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.