SCHEMBL14733602

SCHEMBL14733602

CCc1ccc([C@H](O)COc2ccc(CC3SC(=O)CC3=O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.51
CYP3A4 P08684 3/20 0.39
RXRA P19793 1/20 0.39
MPC2 O95563 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP26A1 O43174 1/20 0.37
CYP26B1 Q9NR63 1/20 0.37
FFAR1 O14842 3/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL14733601 1.00 PPARG (0.51) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL14213590 0.91 PPARG (0.55) PPARGCYP3A4MPC2CYP2C8CYP2C9
SCHEMBL14213574 0.91 PPARG (0.55) PPARGCYP3A4MPC2CYP2C8CYP2C9
SCHEMBL14213616 0.91 PPARG (0.55) PPARGCYP3A4MPC2CYP2C8CYP2C9
SCHEMBL14213595 0.89 PPARG (0.45) PPARGCYP3A4FFAR1ALDH1A1TP53
SCHEMBL14213641 0.89 PPARG (0.45) PPARGCYP3A4CYP26A1CYP26B1FFAR1
SCHEMBL14213582 0.89 PPARG (0.45) PPARGCYP3A4FFAR1ALDH1A1TP53
SCHEMBL14213583 0.89 PPARG (0.45) PPARGCYP3A4CYP26A1CYP26B1FFAR1
SCHEMBL14213628 0.89 PPARG (0.45) PPARGCYP3A4FFAR1ALDH1A1TP53
SCHEMBL14213596 0.89 PPARG (0.45) PPARGCYP3A4CYP26A1CYP26B1FFAR1

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 2/4885CYP3A4 2029/4885RXRA 15/4885

“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.