SCHEMBL13899341

SCHEMBL13899341

CC(C)(C)OC(=O)C(C)(C)Oc1ccc(CCCc2nc(-c3ccc(C(F)(F)F)cc3)nn2-c2ccc([N+](=O)[O-])cc2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.37
PPARD Q03181 14/20 0.36
PPARG P37231 6/20 0.36
NR3C1 P04150 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
ESR2 Q92731 1/20 0.34
ALKBH5 Q6P6C2 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
SCHEMBL13905114 0.91 PPARA (0.37) PPARAPPARDPPARGNR3C1THRA
SCHEMBL13899308 0.88 PPARA (0.38) PPARAPPARDPPARGNR3C1THRA
SCHEMBL13899329 0.87 PPARA (0.45) PPARAPPARDPPARGNR3C1THRA
SCHEMBL13899072 0.80 PPARA (0.45) PPARAPPARDPPARG
SCHEMBL13905116 0.79 PPARA (0.37) PPARAPPARDPPARGNR3C1THRA
SCHEMBL13899085 0.78 PPARA (0.54) PPARAPPARDPPARGNR3C1THRA
SCHEMBL13905118 0.77 PPARA (0.45) PPARAPPARDPPARGNR3C1THRA
SCHEMBL13899054 0.74 PPARA (0.54) PPARAPPARDPPARG
SCHEMBL13899326 0.73 PPARA (0.52) PPARAPPARDPPARG
SCHEMBL3945538 0.71 PPARA (0.45) PPARAPPARDPPARGRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507832-B2 Triazole PPAR modulators ELI LILLY AND COMPANY (US) 2009-03-24 US disclosed
US-20070112045-A1 Triazole ppar modulators ELI LILLY AND COMPANY 2007-05-17 US disclosed
US-20070112045-A1 Triazole ppar modulators ELI LILLY AND COMPANY 2007-05-17 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-20070112045-A1 Triazole ppar modulators PPARD, PPARA, PPARG PPARA 2/4885PPARD 1/4885PPARG 3/4885

“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.