SCHEMBL6325562

SCHEMBL6325562

COc1ccc(NC(=O)c2nc(-c3ccc(OC(C)(C)C(=O)O)cc3)sc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 10/20 0.55
▸ PPARD Q03181 3/20 0.55
▸ ALOX5 P09917 1/20 0.50
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ LMNA P02545 4/20 0.47
▸ XDH P47989 1/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.45

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 0.96 PPARA (0.56) PPARAPPARDMAPTKMT2AMEN1
SCHEMBL6328831 0.92 PPARA (0.57) PPARAPPARDALOX5MAPTKMT2A
SCHEMBL6325756 0.92 PPARA (0.54) PPARAPPARDMAPTKMT2AMEN1
SCHEMBL6329096 0.91 PPARA (0.56) PPARAPPARDMAPTKMT2AMEN1
SCHEMBL6333235 0.90 PPARA (0.67) PPARAPPARDMAPTKMT2AMEN1
SCHEMBL6327988 0.89 PPARA (0.51) PPARAPPARDMAPTKMT2AMEN1
SCHEMBL6328747 0.89 PPARA (0.54) PPARAPPARDMAPTKMT2AMEN1
SCHEMBL6328035 0.86 ALOX5 (0.47) PPARAPPARDALOX5MAPTKMT2A
SCHEMBL6327399 0.86 ALOX5 (0.47) PPARAPPARDALOX5MAPTKMT2A
SCHEMBL6334662 0.86 PPARA (0.47) PPARAPPARDMAPTKMT2AMEN1

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 55/4885ALOX5 612/4885

“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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