Cyanamide

Cyanamide

SCHEMBL6354571

CC(C)(CCCSCCCC(C)(C)C(=O)NC#N)C(=O)O.N#CN

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
TTR P02766 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C8 P10632 1/20 0.30
CHRM1 P11229 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
ADRA1A P35348 1/20 0.30
PPARG P37231 1/20 0.30
HTR2B P41595 1/20 0.30
PPARA Q07869 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLCO1B3 Q9NPD5 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CISD1 Q9NZ45 1/20 0.30
SLCO1B1 Q9Y6L6 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
Cyanamide SCHEMBL6346397 0.96 ACLY (0.37) ACLYACACBACACA
SCHEMBL6745449 0.96 ACLY (0.38) ACLYACACBACACATTRCYP1A2
SCHEMBL6504862 0.91 ACLY (0.40) ACLYACACBACACATTRCYP1A2
SCHEMBL6354569 0.89
SCHEMBL6346393 0.85 ACLY (0.30) ACLY
Cyanamide SCHEMBL6709922 0.80 ACLY (0.33) ACLYACACBACACA
Cyanamide SCHEMBL6388908 0.79 GUCY1A1 (0.32) ACLYACACBACACA
SCHEMBL6342955 0.78 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL6354570 0.78
SCHEMBL6348466 0.78 ACLY (0.52) ACLYACACBACACATTRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005068418-A1 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2005-01-27 US disclosed
EP-1363879-A2 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-11-26 EP disclosed
WO-2002030884-A2 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO 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-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS ACLY 266/4885ACACB 376/4885ACACA 280/4885

“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.