SCHEMBL13899472

SCHEMBL13899472

C=CCN(Cc1ccc(OC(C)(C)C(=O)OCC)cc1)Cc1nnc(-c2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.48
PPARD Q03181 10/20 0.43
PPARG P37231 6/20 0.43
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
S1PR1 P21453 2/20 0.38
GPR119 Q8TDV5 1/20 0.36
FBP1 P09467 1/20 0.35

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
SCHEMBL13899465 0.90 PPARA (0.57) PPARAPPARDPPARG
SCHEMBL14446010 0.86 PPARA (0.56) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL13899376 0.81 PPARA (0.58) PPARAPPARDPPARGS1PR1
SCHEMBL13905082 0.81 PPARD (0.52) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL13899242 0.79 PPARA (0.56) PPARAPPARDPPARGS1PR1
SCHEMBL14445971 0.76 PPARD (0.54) PPARAPPARDPPARG
SCHEMBL13899149 0.75 PPARA (0.62) PPARAPPARDPPARGS1PR1
SCHEMBL4677786 0.75 PPARA (0.59) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL14445995 0.75 PPARA (0.59) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL4681892 0.75 PPARD (0.61) 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 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 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.