SCHEMBL13899423

SCHEMBL13899423

CCOC(=O)C(C)(C)Oc1ccc(OCc2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.51
PPARA Q07869 4/20 0.51
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
GSTP1 P09211 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
SCHEMBL13899399 0.91 POLB (0.42) PPARDPPARATP53POLBGSTP1
SCHEMBL13899419 0.90 PPARD (0.63) PPARDPPARATP53POLB
SCHEMBL5830056 0.83 GSTP1 (0.62) PPARDPPARAGSTP1
SCHEMBL13899142 0.83 PPARD (0.43) PPARDPPARA
SCHEMBL13899373 0.83 PPARD (0.44) PPARDPPARA
SCHEMBL1549614 0.81 PPARD (0.53) PPARDPPARA
SCHEMBL5861777 0.81 PPARD (0.50) PPARDPPARA
SCHEMBL13899429 0.81 PPARD (0.51) PPARDPPARATP53POLB
SCHEMBL13899157 0.81 PPARD (0.58) PPARDPPARA
SCHEMBL1550281 0.79 PPARD (0.53) PPARDPPARA

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 4 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-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.