SCHEMBL3302126

SCHEMBL3302126

Cc1cc(OCc2nn(-c3ccc(C(F)(F)F)cc3)c(=O)n2CCc2ccccc2F)ccc1OC(C)(C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.60
PPARA Q07869 20/20 0.60
PPARG P37231 7/20 0.46
NR3C1 P04150 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL4113265 0.89 PPARD (0.52) PPARDPPARAPPARGNR3C1THRA
SCHEMBL4127645 0.88 PPARD (0.57) PPARDPPARAPPARGNR3C1THRA
SCHEMBL3307715 0.87 PPARD (0.54) PPARDPPARAPPARG
SCHEMBL3307128 0.85 PPARA (0.68) PPARDPPARAPPARG
SCHEMBL3306922 0.84 PPARD (0.54) PPARDPPARAPPARG
SCHEMBL4122463 0.82 PPARA (0.62) PPARDPPARAPPARGNR3C1THRA
SCHEMBL3306897 0.81 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL4112270 0.81 PPARA (0.60) PPARDPPARAPPARGNR3C1THRA
SCHEMBL4125663 0.80 PPARD (0.56) PPARDPPARAPPARGNR3C1THRA
SCHEMBL3303457 0.79 PPARD (0.45) PPARDPPARAPPARG

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-20100099725-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY 2010-04-22 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-20100099725-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS PPARA, PPARG, PPARD PPARD 3/4885PPARA 1/4885PPARG 2/4885

“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.