SCHEMBL18202816

SCHEMBL18202816

CCCC[C@H](NC(=O)CBr)C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.52
▸ SIRT6 Q8N6T7 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ TLR2 O60603 3/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LPAR3 Q9UBY5 4/20 0.35
▸ LPAR1 Q92633 2/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ NMT2 O60551 1/20 0.35
▸ NMT1 P30419 1/20 0.35

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
SCHEMBL23475913 0.87 GLP1R (0.62) GLP1RSIRT6SIRT1TLR2SIRT2
SCHEMBL18202629 0.87 GLP1R (0.62) GLP1RSIRT6SIRT1TLR2SIRT2
SCHEMBL27436033 0.87 GLP1R (0.62) GLP1RSIRT6SIRT1TLR2SIRT2
SCHEMBL23475930 0.87 GLP1R (0.62) GLP1RSIRT6SIRT1TLR2SIRT2
SCHEMBL27436089 0.85 GLP1R (0.50) GLP1RSIRT6SIRT1TLR2SIRT2
SCHEMBL26255822 0.84 GLP1R (0.64) GLP1RSIRT6SIRT1TLR2SIRT2
SCHEMBL16853273 0.84 GLP1R (0.64) GLP1RSIRT6SIRT1TLR2SIRT2
SCHEMBL23475938 0.82 GLP1R (0.46) GLP1RSIRT2MEN1KMT2A
SCHEMBL23489665 0.82 GLP1R (0.46) GLP1RSIRT2MEN1KMT2A
SCHEMBL26257014 0.81 GLP1R (0.58) GLP1RSIRT6SIRT1TLR2SIRT2

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-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2016-11-03 — — 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-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 GLP1R 372/4885SIRT6 3192/4885SIRT1 3338/4885

“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.

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