SCHEMBL6329096

SCHEMBL6329096

CCc1ccc(NC(=O)c2nc(-c3ccc(OC(C)(C)C(=O)O)cc3)sc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 18/20 0.56
▸ PPARD Q03181 8/20 0.56
▸ PPARG P37231 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ FABP2 P12104 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ CNR1 P21554 1/20 0.43
▸ XDH P47989 1/20 0.43

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
SCHEMBL6329127 0.94 PPARA (0.56) PPARAPPARDPPARGALDH1A1MEN1
SCHEMBL6330385 0.93 PPARA (0.53) PPARAPPARDPPARG
SCHEMBL6325562 0.91 PPARA (0.55) PPARAPPARDPPARGALDH1A1MEN1
SCHEMBL6325756 0.90 PPARA (0.54) PPARAPPARDPPARGMEN1CYP1A2
SCHEMBL6333235 0.88 PPARA (0.67) PPARAPPARDPPARGMEN1CYP1A2
SCHEMBL6328747 0.87 PPARA (0.54) PPARAPPARDPPARGMEN1CYP1A2
SCHEMBL6327988 0.87 PPARA (0.51) PPARAPPARDPPARGALDH1A1MEN1
SCHEMBL6334662 0.85 PPARA (0.47) PPARAPPARDPPARGALDH1A1MEN1
SCHEMBL6335247 0.84 PPARA (0.43) PPARAPPARDPPARGMEN1MAPT
SCHEMBL6328831 0.83 PPARA (0.57) PPARAPPARDPPARGALDH1A1MEN1

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 55/4885PPARG 13/4885

“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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