SCHEMBL6333235

SCHEMBL6333235

CC(C)(Oc1ccc(-c2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(-c3ccc(Cl)cc3)s2)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 16/20 0.67
▸ PPARD Q03181 11/20 0.54
▸ PPARG P37231 6/20 0.54
▸ MEN1 O00255 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ XDH P47989 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
SCHEMBL6329127 0.94 PPARA (0.56) PPARAPPARDPPARGMEN1CYP1A2
SCHEMBL6330411 0.93 PPARA (0.69) PPARAPPARDPPARGMEN1MAPT
SCHEMBL6325756 0.91 PPARA (0.54) PPARAPPARDPPARGMEN1CYP1A2
SCHEMBL6325562 0.90 PPARA (0.55) PPARAPPARDPPARGMEN1CYP1A2
SCHEMBL6329096 0.88 PPARA (0.56) PPARAPPARDPPARGMEN1CYP1A2
SCHEMBL6328747 0.86 PPARA (0.54) PPARAPPARDPPARGMEN1CYP1A2
SCHEMBL6327988 0.86 PPARA (0.51) PPARAPPARDPPARGMEN1CYP1A2
Trifluoroacetic Acid SCHEMBL6325797 0.84 PPARA (0.49) PPARAPPARDMAPT
SCHEMBL6334499 0.84 PPARA (0.47) PPARAPPARDPPARGMEN1MAPT
SCHEMBL6334662 0.84 PPARA (0.47) PPARAPPARDPPARGMEN1CYP1A2

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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