SCHEMBL13899347

SCHEMBL13899347

Cn1nc(-c2ccc(C(F)(F)F)cc2)nc1CCCc1ccc(OC(C)(C)C(=O)OC(C)(C)C)c(I)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.37
PPARA Q07869 15/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PPARG P37231 4/20 0.36
TDP2 O95551 1/20 0.35
P2RY14 Q15391 1/20 0.34
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

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
SCHEMBL13899076 0.91 PPARA (0.43) PPARDPPARATP53MAPTPPARG
SCHEMBL13904973 0.89 PPARA (0.37) PPARDPPARATP53MAPTPPARG
SCHEMBL13899072 0.86 PPARA (0.45) PPARDPPARAPPARG
SCHEMBL13899343 0.82 PPARA (0.41) PPARDPPARATP53MAPTPPARG
SCHEMBL13899325 0.81 PPARA (0.52) PPARDPPARAPPARG
SCHEMBL13904970 0.80 PPARA (0.42) PPARDPPARATP53MAPTPPARG
SCHEMBL13899317 0.76 PPARA (0.55) PPARDPPARAPPARG
SCHEMBL13904969 0.76 PPARA (0.43) PPARDPPARAPPARG
SCHEMBL13899100 0.73 PPARD (0.43) PPARDPPARAMAPTPPARG
SCHEMBL13899329 0.73 PPARA (0.45) PPARDPPARAPPARGNR3C1THRA

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 PPARD 1/4885PPARA 2/4885TP53 3374/4885

“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.