SCHEMBL6325756

SCHEMBL6325756

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 15/20 0.54
▸ PPARD Q03181 7/20 0.52
▸ 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
▸ HIPK4 Q8NE63 3/20 0.45
▸ XDH P47989 1/20 0.43
▸ PPARG P37231 4/20 0.43
▸ FABP2 P12104 1/20 0.42
▸ SLC22A12 Q96S37 1/20 0.42

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 0.95 PPARA (0.56) PPARAPPARDMEN1CYP1A2CYP3A4
SCHEMBL6328138 0.93 PPARA (0.56) PPARAPPARDHIPK4PPARG
SCHEMBL6325562 0.92 PPARA (0.55) PPARAPPARDMEN1CYP1A2CYP3A4
SCHEMBL6333235 0.91 PPARA (0.67) PPARAPPARDMEN1CYP1A2CYP3A4
SCHEMBL6329096 0.90 PPARA (0.56) PPARAPPARDMEN1CYP1A2CYP3A4
SCHEMBL6328747 0.88 PPARA (0.54) PPARAPPARDMEN1CYP1A2CYP3A4
SCHEMBL6327988 0.88 PPARA (0.51) PPARAPPARDMEN1CYP1A2CYP3A4
SCHEMBL6334662 0.85 PPARA (0.47) PPARAPPARDMEN1CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL6325797 0.84 PPARA (0.49) PPARAPPARDMAPT
SCHEMBL6328831 0.84 PPARA (0.57) PPARAPPARDMEN1MAPTKMT2A

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 55/4885MEN1 3157/4885

“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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