SCHEMBL6354593

SCHEMBL6354593

CC(C)(CCC(S)CCC(S)CCC(C)(C)CCn1cnnn1)CCn1cnnn1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL6344113 0.86 MEN1 (0.38) MEN1ALDH1A1KMT2A
SCHEMBL13053725 0.83 ALDH1A1 (0.47) MEN1ALDH1A1KMT2AHRH3
SCHEMBL6354590 0.76 ALDH1A1 (0.47) MEN1ALDH1A1KMT2A
SCHEMBL3283589 0.72 ALDH1A1 (0.46) MEN1ALDH1A1KMT2A
SCHEMBL19755650 0.66 ALDH1A1 (0.62) MEN1ALDH1A1KMT2AHRH3
SCHEMBL21111119 0.66 ALDH1A1 (1.00) MEN1ALDH1A1KMT2AHRH3
SCHEMBL3643462 0.65
SCHEMBL27085534 0.63
SCHEMBL26823710 0.63
SCHEMBL21111146 0.62 ALDH1A1 (0.79) MEN1ALDH1A1KMT2AHRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020077316-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2002-06-20 US claimed
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2005-01-27 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 (2 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-20020077316-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, IAPP, STS MEN1 3008/4885ALDH1A1 2827/4885KMT2A 3706/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS MEN1 2869/4885ALDH1A1 2643/4885KMT2A 3715/4885

“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.