SCHEMBL17833359

SCHEMBL17833359

CCCN(CC)CCCS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
APP P05067 1/20 0.38
CA1 P00915 3/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
PAOX Q6QHF9 1/20 0.33
EPHX2 P34913 1/20 0.33
KCNH2 Q12809 3/20 0.33
CHRM2 P08172 2/20 0.33
SLC6A4 P31645 2/20 0.33
DRD3 P35462 2/20 0.33
CACNA1F O60840 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
CA12 O43570 3/20 0.32

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
SCHEMBL2185541 0.91 NPSR1 (0.44) NPSR1APPKDM5AKDM4CPAOX
SCHEMBL4185969 0.91 APP (0.41) NPSR1APPCA1KDM5AEPHX2
SCHEMBL918207 0.89 NPSR1 (0.50) NPSR1APPPAOXEPHX2PTGS1
SCHEMBL24490914 0.87 CA1 (0.37) NPSR1APPCA1CA12CA2
Water SCHEMBL21295559 0.87 NPSR1 (0.48) NPSR1APPPAOXEPHX2PTGS1
SCHEMBL26140963 0.86 APP (0.37) NPSR1APPCA1EPHX2CA12
SCHEMBL4185963 0.85 APP (0.39) NPSR1APPCA1KDM5AKDM4C
SCHEMBL14686407 0.83 NPSR1 (0.42) NPSR1APPPAOXEPHX2PTGS1
SCHEMBL15345862 0.83 NPSR1 (0.48) NPSR1APPKDM5AKDM4CPAOX
SCHEMBL14750206 0.83 APP (0.41) NPSR1APPCA1KDM5AKDM4C

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-20160168062-A1 PROCESS FOR DEPOLYMERIZATION OF LIGNIN COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-06-16 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-20160168062-A1 PROCESS FOR DEPOLYMERIZATION OF LIGNIN DCXR, BROX, LCT NPSR1 3756/4885APP 3856/4885CA1 4805/4885

“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.