SCHEMBL6327314

SCHEMBL6327314

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.47
▸ ALOX5 P09917 3/20 0.47
▸ STAT3 P40763 1/20 0.45
▸ HPGD P15428 4/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ PPARA Q07869 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ PPARG P37231 2/20 0.40
▸ PPARD Q03181 1/20 0.40

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
SCHEMBL6330961 0.96 STAT3 (0.47) TP53ALOX5STAT3PPARAMAPT
SCHEMBL6326381 0.92 TP53 (0.45) TP53ALOX5STAT3PPARAMAPT
SCHEMBL6328035 0.92 ALOX5 (0.47) TP53ALOX5STAT3HPGDPPARA
SCHEMBL6327399 0.92 ALOX5 (0.47) TP53ALOX5STAT3HPGDPPARA
SCHEMBL6330012 0.91 MEN1 (0.48) TP53STAT3HPGDPPARAMAPT
SCHEMBL6328043 0.91 STAT3 (0.47) TP53STAT3HPGDHSD17B10PPARA
SCHEMBL6327984 0.90 PPARA (0.54) TP53STAT3PPARAMAPTMEN1
SCHEMBL6327695 0.90 TP53 (0.43) TP53ALOX5STAT3HPGDHSD17B10
SCHEMBL6335297 0.89 XDH (0.46) TP53HPGDHSD17B10PPARAMAPT
SCHEMBL6329108 0.89 HIPK4 (0.40) TP53ALOX5HPGDPPARAMAPT

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 TP53 2790/4885ALOX5 612/4885STAT3 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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