SCHEMBL16489285

SCHEMBL16489285

CCc1ccc([C@H](COc2ccc(CC3(C)SC(=O)CC3=O)cc2)OC(=O)C(C)(C)C)cn1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.33
CYP3A4 P08684 1/20 0.31
RXRA P19793 1/20 0.31

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
SCHEMBL14213697 0.91 PPARG (0.34) PPARGCYP3A4RXRA
SCHEMBL14213693 0.91 PPARG (0.34) PPARGCYP3A4RXRA
SCHEMBL14213692 0.88 PPARG (0.33) PPARGCYP3A4RXRA
SCHEMBL14213688 0.87 PPARG (0.33) PPARGCYP3A4RXRA
SCHEMBL16491936 0.86 PPARG (0.37) PPARGCYP3A4RXRA
SCHEMBL14213689 0.81 PPARG (0.40) PPARGCYP3A4RXRA
SCHEMBL6928346 0.78 PPARG (0.57) PPARGCYP3A4RXRA
SCHEMBL19217615 0.76 PPARG (0.38) PPARGCYP3A4RXRA
SCHEMBL6928382 0.76 PPARG (0.38) PPARGCYP3A4RXRA
SCHEMBL6928329 0.76 PPARG (0.38) PPARGCYP3A4RXRA

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-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

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-20150051406-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES PPARD, PPARG, PPARA PPARG 2/4885CYP3A4 1260/4885RXRA 46/4885

“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.