SCHEMBL14213680

SCHEMBL14213680

CCc1ccc(C(COc2ccc(CC3(C)SC(=O)CC3=O)cc2)OC(=O)c2ccccc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.41
LMNA P02545 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
MPC2 O95563 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP3A4 P08684 1/20 0.31
RXRA P19793 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPARA Q07869 1/20 0.31
ALDH1A1 P00352 2/20 0.30
GAA P10253 1/20 0.30
CYP19A1 P11511 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL16489283 1.00 PPARG (0.41) PPARGLMNAMEN1KMT2ATSHR
SCHEMBL14213678 0.90 PPARG (0.43) PPARGMEN1KMT2ATSHRMPC2
SCHEMBL14213696 0.90 PPARG (0.43) PPARGMEN1KMT2ATSHRMPC2
SCHEMBL16489284 0.88 PPARG (0.41) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL14213675 0.88 PPARG (0.41) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL14213688 0.86 PPARG (0.33) PPARGLMNAMEN1KMT2ATSHR
SCHEMBL17540597 0.86 PPARG (0.40) PPARGLMNAMEN1KMT2AMPC2
SCHEMBL16491937 0.85 PPARG (0.45) PPARGLMNAMEN1KMT2ATSHR
SCHEMBL6931095 0.85 PPARG (0.45) PPARGLMNAMEN1KMT2ATSHR
SCHEMBL14213679 0.83 PPARG (0.58) PPARGLMNAMEN1KMT2ATSHR

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 2/4885LMNA 2742/4885MEN1 4694/4885
US-20120309975-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES PPARD, PPARG, PPARA PPARG 2/4885LMNA 4017/4885MEN1 4273/4885
US-20150051406-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES PPARD, PPARG, PPARA PPARG 2/4885LMNA 4017/4885MEN1 4273/4885
US-20160051529-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE AND OTHER METABOLIC DISEASES PPARD, PPARG, PPARA PPARG 2/4885LMNA 3033/4885MEN1 2530/4885
US-20120316138-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF OBESITY AND OTHER METABOLIC DISEASES PPARD, PPARA, PPARG PPARG 3/4885LMNA 3353/4885MEN1 4715/4885
US-20120322728-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF DIABETES MELLITUS AND OTHER METABOLIC DISEASES GLP1R, PPARD, PPARA PPARG 4/4885LMNA 3695/4885MEN1 1432/4885

“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.