SCHEMBL27436101

SCHEMBL27436101

CCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.52
NOD1 Q9Y239 2/20 0.50
SIRT5 Q9NXA8 2/20 0.50
EPHX2 P34913 6/20 0.46
ALB P02768 1/20 0.46
ROCK2 O75116 1/20 0.46
GLP1R P43220 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
NPY4R P50391 1/20 0.44
NPY5R Q15761 1/20 0.44

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
SCHEMBL23365798 1.00 TLR2 (0.52) TLR2NOD1SIRT5EPHX2ALB
SCHEMBL21172243 0.89 NOD1 (0.58) NOD1EPHX2GLP1R
SCHEMBL27436076 0.89 NOD1 (0.58) NOD1EPHX2GLP1R
SCHEMBL23365799 0.89 NOD1 (0.58) NOD1EPHX2GLP1R
SCHEMBL20414814 0.89 NOD1 (0.58) NOD1EPHX2GLP1R
SCHEMBL20341058 0.88 SIRT5 (0.63) TLR2NOD1SIRT5EPHX2ALB
SCHEMBL10027319 0.88 MEN1 (0.52) TLR2NOD1SIRT5EPHX2ALB
SCHEMBL27436171 0.85 NMT1 (0.56) TLR2NOD1ROCK2GLP1R
SCHEMBL15084766 0.85 NOD1 (0.63) TLR2NOD1EPHX2ALBGLP1R
SCHEMBL24592963 0.85 SIRT5 (0.47) TLR2NOD1SIRT5ROCK2

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-20240207363-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2024-06-27 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 (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-20240207363-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 TLR2 3926/4885NOD1 2918/4885SIRT5 2360/4885

“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.