SCHEMBL6330385

SCHEMBL6330385

CCc1ccc(NC(=O)c2nc(-c3ccc(OC(C)(C)C(=O)O)cc3)sc2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 17/20 0.53
▸ PPARD Q03181 8/20 0.49
▸ STAT3 P40763 1/20 0.48
▸ PPARG P37231 4/20 0.47
▸ TP53 P04637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6329096 0.93 PPARA (0.56) PPARAPPARDPPARG
SCHEMBL6328831 0.90 PPARA (0.57) PPARAPPARDSTAT3PPARG
SCHEMBL6328138 0.90 PPARA (0.56) PPARAPPARDSTAT3PPARG
SCHEMBL6330411 0.88 PPARA (0.69) PPARAPPARDSTAT3PPARG
SCHEMBL6329127 0.86 PPARA (0.56) PPARAPPARDPPARG
SCHEMBL6328294 0.84 PPARA (0.49) PPARAPPARDSTAT3PPARG
SCHEMBL6326213 0.83 PPARG (0.48) PPARAPPARDSTAT3PPARGTP53
SCHEMBL6325562 0.83 PPARA (0.55) PPARAPPARDSTAT3PPARG
SCHEMBL6325756 0.82 PPARA (0.54) PPARAPPARDPPARG
Trifluoroacetic Acid SCHEMBL6333105 0.81 DGAT1 (0.51) PPARAL3MBTL1

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-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2005-01-20 — — 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-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity GPR119, EGLN3, PC PPARA 49/4885PPARD 55/4885STAT3 384/4885

“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.

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