SCHEMBL6345552

SCHEMBL6345552

CC(C)(CCC(S)CCC(S)CCC(C)(C)Cc1cocc(O)c1=O)Cc1cc(=O)c(O)co1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.40
TYR P14679 8/20 0.39
KDM4E B2RXH2 1/20 0.39
IDH1 O75874 1/20 0.34

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
SCHEMBL10262590 0.89 TYR (0.40) DAOTYRKDM4EIDH1
SCHEMBL6345631 0.87 DAO (0.39) DAOTYRKDM4EIDH1
SCHEMBL6347088 0.87
SCHEMBL13053883 0.86 TYR (0.38) DAOTYRKDM4E
SCHEMBL6345550 0.83 TYR (0.40) DAOTYRKDM4EIDH1
SCHEMBL3279862 0.83 TYR (0.39) DAOTYRKDM4E
SCHEMBL3280194 0.83 TYR (0.39) DAOTYRKDM4E
SCHEMBL3285645 0.82 TYR (0.40) DAOTYRKDM4EIDH1
SCHEMBL6258441 0.80 DAO (0.40) DAOTYRKDM4E
SCHEMBL6708527 0.80 TYR (0.39) DAOTYRKDM4EIDH1

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 DAO 2334/4885TYR 3568/4885KDM4E 3812/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS DAO 2262/4885TYR 3444/4885KDM4E 3744/4885

“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.