SCHEMBL14213649

SCHEMBL14213649

COP(=O)(OC)OC(COc1ccc(CC2SC(=O)CC2=O)cc1)c1cccc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.40
FFAR1 O14842 11/20 0.36
MPC2 O95563 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
PPARA Q07869 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL14213653 0.90 PPARG (0.40) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213712 0.90 PPARG (0.41) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL17540553 0.89 PPARG (0.39) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213647 0.82 PPARG (0.38) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14299376 0.82 PPARG (0.50) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213662 0.81 PPARG (0.40) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213710 0.80 PPARG (0.41) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213660 0.80 FFAR1 (0.35) PPARGFFAR1
SCHEMBL14299383 0.79 PPARG (0.55) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14299377 0.77 PPARG (0.49) PPARGFFAR1MPC2CYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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-20120309975-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES PPARD, PPARG, PPARA PPARG 2/4885FFAR1 51/4885MPC2 131/4885

“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.