SCHEMBL6328043

SCHEMBL6328043

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.47
▸ MAPT P10636 6/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PPARA Q07869 5/20 0.44
▸ PPARG P37231 2/20 0.42
▸ PPARD Q03181 2/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ PKM P14618 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ NFKB1 P19838 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 0.95 STAT3 (0.47) STAT3MAPTALDH1A1PPARAPPARG
SCHEMBL6327314 0.91 TP53 (0.47) STAT3MAPTALDH1A1HPGDHSD17B10
SCHEMBL6326213 0.91 PPARG (0.48) STAT3MAPTPPARAPPARGPPARD
SCHEMBL6326381 0.90 TP53 (0.45) STAT3MAPTALDH1A1PPARAPPARG
SCHEMBL6327399 0.90 ALOX5 (0.47) STAT3MAPTALDH1A1HPGDPPARA
SCHEMBL6328035 0.90 ALOX5 (0.47) STAT3MAPTALDH1A1HPGDPPARA
SCHEMBL6335247 0.89 PPARA (0.43) MAPTPPARAPPARGPPARDMEN1
SCHEMBL6327984 0.89 PPARA (0.54) STAT3MAPTPPARAPPARGPPARD
SCHEMBL6330012 0.88 MEN1 (0.48) STAT3MAPTALDH1A1HPGDPPARA
SCHEMBL6336676 0.86 SLC22A12 (0.44) STAT3MAPTHPGDHSD17B10PPARA

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 STAT3 384/4885MAPT 3022/4885ALDH1A1 991/4885

“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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