SCHEMBL18969895

SCHEMBL18969895

CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCC(NC(=O)C(CCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC)N(CCCCCCCCCCCC)CCCCCCCCCCCC)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 5/20 0.45
TLR2 O60603 1/20 0.38
SIRT1 Q96EB6 2/20 0.38
SIRT6 Q8N6T7 1/20 0.38
KDM5A P29375 2/20 0.35
PHF8 Q9UPP1 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
SIRT2 Q8IXJ6 3/20 0.34
ICMT O60725 1/20 0.33
ALB P02768 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
MMP3 P08254 2/20 0.33
SIRT5 Q9NXA8 1/20 0.33
MMP9 P14780 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33

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
SCHEMBL14906324 0.88 NOD1 (0.54) NOD1KDM5APHF8KDM4CSLC6A5
SCHEMBL15044865 0.87 NOD1 (0.41) NOD1TLR2SIRT1SIRT6KDM5A
SCHEMBL18969897 0.86 NOD1 (0.41) NOD1TLR2SIRT2PLA2G2A
SCHEMBL19846402 0.83 NOD1 (0.40) NOD1KDM5APHF8KDM4CICMT
SCHEMBL20589912 0.80 NOD1 (0.39) NOD1KDM5APHF8KDM4CICMT
SCHEMBL15044724 0.75 NOD1 (0.50) NOD1KDM5APHF8KDM4CICMT
SCHEMBL8213612 0.75 FURIN (0.44) TLR2SIRT1SIRT6MMP3MMP9
SCHEMBL15047638 0.75 NOD1 (0.49) NOD1SIRT1SIRT2SIRT3SLC6A5
SCHEMBL31175043 0.74 NOD1 (0.56) NOD1TLR2SIRT1SIRT6SLC6A5
SCHEMBL15047717 0.74 CA1 (0.40) NOD1SIRT1SIRT6KDM5APHF8

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-20170165290-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-06-15 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-20170165290-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 NOD1 2381/4885TLR2 858/4885SIRT1 2537/4885

“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.