SCHEMBL6344108

SCHEMBL6344108

CC(C)(CCC(=S)CCC(=S)CCC(C)(C)Cn1cnnn1)Cn1cnnn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 3/20 0.32
LMNA P02545 1/20 0.32
HMOX1 P09601 1/20 0.31
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
STAT5B P51692 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 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 0.75 MEN1 (0.38) MEN1KMT2AALDH1A1
SCHEMBL6197297 0.74 MEN1 (0.37) MEN1KMT2AALDH1A1
SCHEMBL6198975 0.73 MEN1 (0.36) MEN1KMT2AALDH1A1
SCHEMBL4686234 0.72 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TP53LMNA
SCHEMBL4686237 0.72 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TP53LMNA
SCHEMBL6352896 0.72 MEN1 (0.38) MEN1KMT2AALDH1A1
SCHEMBL6343283 0.72 MEN1 (0.38) MEN1KMT2AALDH1A1
SCHEMBL15932248 0.72 MEN1 (0.54) MEN1KMT2AALDH1A1TP53HMOX1
SCHEMBL6274020 0.71 MEN1 (0.37) MEN1KMT2AALDH1A1CYP2C9
SCHEMBL4551571 0.69 MEN1 (0.42) MEN1KMT2AALDH1A1TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004532799-A 2004-10-28 JP claimed
EP-1363879-A2 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-11-26 EP claimed
US-20020077316-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2002-06-20 US claimed
WO-2002030884-A2 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO 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 3008/4885KMT2A 3706/4885ALDH1A1 2827/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS MEN1 2869/4885KMT2A 3715/4885ALDH1A1 2643/4885

“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.