SCHEMBL14733583

SCHEMBL14733583

COc1cccc(C(COc2ccc(CC3SC(=O)CC3=O)cc2)OC(=O)CCCC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.49
FFAR1 O14842 10/20 0.46
MPC2 O95563 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
FFAR4 Q5NUL3 1/20 0.38
PTGFR P43088 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
SCHEMBL14733582 1.00 PPARG (0.49) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14733581 1.00 PPARG (0.49) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213622 0.95 PPARG (0.50) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213624 0.95 PPARG (0.50) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213735 0.95 PPARG (0.50) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213744 0.91 PPARG (0.48) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213742 0.91 PPARG (0.48) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213743 0.91 PPARG (0.48) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213770 0.91 FFAR1 (0.40) PPARGFFAR1MPC2CYP2C8CYP2C9
SCHEMBL14213626 0.91 FFAR1 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20130053350-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PPARD, PPARG, PPARA PPARG 2/4885FFAR1 75/4885MPC2 115/4885

“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.