SCHEMBL2628233

SCHEMBL2628233

CC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.44
BACE2 Q9Y5Z0 1/20 0.40
KEAP1 Q14145 1/20 0.40
CTSD P07339 5/20 0.39
FOLH1 Q04609 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
SCHEMBL17424544 0.84 BACE1 (0.46) BACE1BACE2CTSDFOLH1
SCHEMBL16661562 0.83 ADAMTS5 (0.43) BACE1CTSD
SCHEMBL17424527 0.82 BACE1 (0.41) BACE1BACE2CTSD
SCHEMBL16199301 0.82 BACE1 (0.41) BACE1BACE2CTSD
SCHEMBL10422239 0.82 BACE1 (0.39) BACE1CTSDFOLH1
SCHEMBL10422242 0.82 BACE1 (0.39) BACE1CTSDFOLH1
SCHEMBL16199302 0.81 BACE1 (0.42) BACE1CTSDFOLH1
SCHEMBL31631404 0.81 MME (0.36)
SCHEMBL17732669 0.81 BACE1 (0.40) BACE1BACE2CTSD
SCHEMBL29695567 0.81 GNPAT (0.47) BACE1CTSDFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334304-B2 Self-assembling peptides bearing organic electronic functionality and applications employing the same THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-10 US disclosed
US-20120101022-A1 SELF-ASSEMBLING PEPTIDES BEARING ORGANIC ELECTRONIC FUNCTIONALITY AND APPLICATIONS EMPLOYING THE SAME THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-26 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-20120101022-A1 SELF-ASSEMBLING PEPTIDES BEARING ORGANIC ELECTRONIC FUNCTIONALITY AND APPLICATIONS EMPLOYING THE SAME APP, IAPP, DNPEP BACE1 12/4885BACE2 203/4885KEAP1 986/4885

“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.