SCHEMBL21362386

SCHEMBL21362386

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.42
▸ SIRT1 Q96EB6 2/20 0.42
▸ SIRT3 Q9NTG7 2/20 0.42
▸ SIRT6 Q8N6T7 1/20 0.42
▸ SIRT7 Q9NRC8 1/20 0.42
▸ SIRT5 Q9NXA8 7/20 0.41
▸ TPSAB1 Q15661 4/20 0.41
▸ TYMS P04818 2/20 0.39
▸ GART P22102 2/20 0.39
▸ ATIC P31939 2/20 0.39
▸ FURIN P09958 1/20 0.39
▸ FOLH1 Q04609 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL20153605 0.85 SIRT2 (0.53) SIRT2SIRT1SIRT3SIRT6SIRT7
SCHEMBL3651453 0.72 NOD1 (0.55) FOLH1
SCHEMBL17304349 0.70 NOD1 (0.52) FOLH1
SCHEMBL17304352 0.70 NOD1 (0.52) FOLH1
SCHEMBL17304342 0.70 NOD1 (0.52) FOLH1
SCHEMBL17304354 0.70 NOD1 (0.52) FOLH1
SCHEMBL17304345 0.70 NOD1 (0.52) FOLH1
SCHEMBL17304348 0.70 NOD1 (0.52) FOLH1
SCHEMBL17304347 0.70 NOD1 (0.52) FOLH1
SCHEMBL17304355 0.70 NOD1 (0.52) FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538157-B1 METHYLGLYOXAL-SCAVENGING CYCLIC PEPTIDES AND THEIR USE FOR THE PREVENTION AND TREATMENT OF DISEASES ASSOCIATED WITH ELEVATED METHYLGLYOXAL LEVELS RUPRECHT KARLS UNIV (DE) 2022-05-18 — — EP disclosed
US-11202833-B2 Methylglyoxal-scavenging cyclic peptides and their use for the prevention and treatment of diseases associated with elevated methylglyoxal levels Ruprecht-Karls-Universität Heidelberg (DE) 2021-12-21 — — US disclosed
US-20190282700-A1 METHYLGLYOXAL-SCAVENGING CYCLIC PEPTIDES AND THEIR USE FOR THE PREVENTION AND TREATMENT OF DISEASES ASSOCIATED WITH ELEVATED METHYLGLYOXAL LEVELS Ruprecht-Karls-Universität Heidelberg (DE) 2019-09-19 — — 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 (2 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-11202833-B2 Methylglyoxal-scavenging cyclic peptides and their use for the prevention and treatment of diseases associated with elevated methylglyoxal levels PTMS, GLO1, ARGLU1 SIRT2 576/4885SIRT1 183/4885SIRT3 260/4885
US-20190282700-A1 METHYLGLYOXAL-SCAVENGING CYCLIC PEPTIDES AND THEIR USE FOR THE PREVENTION AND TREATMENT OF DISEASES ASSOCIATED WITH ELEVATED METHYLGLYOXAL LEVELS PTMS, GLO1, ARGLU1 SIRT2 576/4885SIRT1 183/4885SIRT3 260/4885

“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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