SCHEMBL6034828

SCHEMBL6034828

CCOc1nn(-c2ncccc2C(F)(F)F)cc1CCCOc1cccc(OC(C)(C)C(=O)O)c1.[CaH2]

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.41
PPARA Q07869 7/20 0.38
PPARD Q03181 4/20 0.38
SLC16A3 O15427 4/20 0.37
SLC16A1 P53985 4/20 0.37
FFAR1 O14842 2/20 0.37
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
MCTS1 Q9ULC4 1/20 0.35
TRPA1 O75762 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
SCHEMBL6034824 0.91 PPARG (0.34) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL6034655 0.90 PPARG (0.40) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL6035708 0.85 PPARA (0.43) PPARGPPARAPPARD
SCHEMBL6034478 0.85 PPARA (0.41) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL6034895 0.83 PPARG (0.43) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL6034688 0.83 PPARA (0.40) PPARGPPARAPPARDFFAR1CYP4F2
SCHEMBL6035775 0.82 PPARG (0.41) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL6035146 0.82 PPARG (0.44) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL6034648 0.82 DGAT1 (0.35) PPARGPPARAPPARDSLC16A3SLC16A1
SCHEMBL1634400 0.82 PPARA (0.40) PPARGPPARAPPARDCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 PPARG 1037/4885PPARA 1717/4885PPARD 2488/4885

“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.