SCHEMBL14213657

SCHEMBL14213657

O=C1CC(=O)C(Cc2ccc(OCC(OCOC(=O)c3cccc(Cl)c3)c3ccccc3F)cc2)S1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.34
PPARG P37231 4/20 0.34
MPC2 O95563 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
RAB9A P51151 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
SCHEMBL6931208 0.88 PPARG (0.48) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL19217703 0.85 FFAR1 (0.33) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL12628144 0.85 PPARG (0.42) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL14299374 0.79 FFAR1 (0.38) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL14213639 0.77 PPARG (0.34) FFAR1PPARGALDH1A1MEN1KMT2A
SCHEMBL14213642 0.75 PPARG (0.43) FFAR1PPARGALDH1A1MEN1KMT2A
SCHEMBL14213597 0.75 PPARG (0.43) FFAR1PPARGALDH1A1MEN1KMT2A
SCHEMBL14213584 0.75 PPARG (0.43) FFAR1PPARGALDH1A1MEN1KMT2A
SCHEMBL8282078 0.75 PPARG (0.53) PPARGMPC2CYP2C8CYP2C9ALDH1A1
SCHEMBL14213690 0.74 FFAR1 (0.33) FFAR1PPARGALDH1A1MEN1KMT2A

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 2/4885MPC2 115/4885
US-20120309975-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES PPARD, PPARG, PPARA FFAR1 51/4885PPARG 2/4885MPC2 131/4885
US-20150051406-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES PPARD, PPARG, PPARA FFAR1 51/4885PPARG 2/4885MPC2 131/4885
US-20160051529-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE AND OTHER METABOLIC DISEASES PPARD, PPARG, PPARA FFAR1 45/4885PPARG 2/4885MPC2 85/4885
US-20120316138-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF OBESITY AND OTHER METABOLIC DISEASES PPARD, PPARA, PPARG FFAR1 45/4885PPARG 3/4885MPC2 112/4885
US-20120322728-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF DIABETES MELLITUS AND OTHER METABOLIC DISEASES GLP1R, PPARD, PPARA FFAR1 44/4885PPARG 4/4885MPC2 216/4885

“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.