SCHEMBL3941383

SCHEMBL3941383

CC(C)(Oc1ccc(CCCc2nc(-c3ccc(C(F)(F)F)cc3)n[nH]2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.56
PPARD Q03181 12/20 0.56
PPARG P37231 8/20 0.56

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
SCHEMBL13905169 0.90 PPARA (0.46) PPARAPPARDPPARG
SCHEMBL3945538 0.90 PPARA (0.45) PPARAPPARDPPARG
SCHEMBL13904975 0.87 DDX3X (0.43) PPARAPPARDPPARG
SCHEMBL13899334 0.86 PPARA (0.53) PPARAPPARDPPARG
SCHEMBL13899063 0.85 PPARD (0.61) PPARAPPARDPPARG
SCHEMBL14505660 0.85 PPARA (0.50) PPARAPPARDPPARG
SCHEMBL13899317 0.80 PPARA (0.55) PPARAPPARDPPARG
SCHEMBL13899054 0.78 PPARA (0.54) PPARAPPARDPPARG
SCHEMBL13899314 0.77 PPARA (0.53) PPARAPPARDPPARG
SCHEMBL13899326 0.77 PPARA (0.52) PPARAPPARDPPARG

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 8 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-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
US-20070112045-A1 Triazole ppar modulators ELI LILLY AND COMPANY 2007-05-17 US disclosed
EP-1725231-A1 TRIAZOLE, OXADIAZOLE AND THIADIAZOLE DERIVATIVES AS PPAR MODULATORS FOR THE TREATMENT OF DIABETES ELI LILLY AND COMPANY (US) 2006-11-29 EP disclosed
WO-2005065683-A1 TRIAZOLE, OXADIAZOLE AND THIADIAZOLE DERIVATIVE AS PPAR MODULATORS FOR THE TREATMENT OF DIABETES ELI LILLY AND COMPANY (US) 2005-07-21 WO 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.