SCHEMBL29975231

SCHEMBL29975231

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.53
▸ MME P08473 1/20 0.53
▸ CPA1 P15085 1/20 0.53
▸ ACE2 Q9BYF1 1/20 0.53
▸ MAGI3 Q5TCQ9 1/20 0.52
▸ CASP1 P29466 2/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ CASP4 P49662 1/20 0.51
▸ CASP5 P51878 1/20 0.51
▸ CASP9 P55211 1/20 0.51
▸ CASP6 P55212 1/20 0.51
▸ CASP8 Q14790 1/20 0.51
▸ CASP10 Q92851 1/20 0.51
▸ BACE1 P56817 3/20 0.49
▸ BACE2 Q9Y5Z0 1/20 0.47
▸ TASP1 Q9H6P5 1/20 0.46

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
SCHEMBL29974829 0.87 F2 (0.52) MAGI3BACE1BACE2
SCHEMBL29973963 0.87 F2 (0.52) MAGI3BACE1BACE2
SCHEMBL9341191 0.86 NPY1R (0.51) CASP1BACE1BACE2
SCHEMBL29630541 0.85 BACE1 (0.56) ACEMMECPA1ACE2BACE1
SCHEMBL30798736 0.84 F2 (0.53) ACEMMECPA1ACE2CASP1
SCHEMBL29974620 0.84 MAGI3 (0.56) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL29974746 0.84 MAGI3 (0.56) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL30565310 0.84 BACE1 (0.51) ACEMMECPA1ACE2MAGI3
SCHEMBL31041717 0.83 BACE1 (0.53) ACECASP1CASP3CASP9BACE1
SCHEMBL31721019 0.83 ACE (0.50) ACEMMECPA1ACE2MAGI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399361-A1 MACROCYCLIC PEPTIDES UNIVERSITY OF NOTRE DAME DU LAC 2023-12-14 — — US claimed
US-20240116984-A1 MODIFIED PEPTIDES FOR THE INHIBITION OF ABNORMAL TAU ACCUMULATION NATIONAL SCIENCE FOUNDATION 2024-04-11 — — US disclosed
EP-4329791-A1 MODIFIED PEPTIDES FOR THE INHIBITION OF ABNORMAL TAU ACCUMULATION University of Notre Dame du Lac (US) 2024-03-06 — — EP disclosed
US-20230399361-A1 MACROCYCLIC PEPTIDES UNIVERSITY OF NOTRE DAME DU LAC 2023-12-14 — — US disclosed
WO-2022232007-A1 MODIFIED PEPTIDES FOR THE INHIBITION OF ABNORMAL TAU ACCUMULATION UNIVERSITY OF NOTRE DAME DU LAC (US) 2022-11-03 — — WO 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-20240116984-A1 MODIFIED PEPTIDES FOR THE INHIBITION OF ABNORMAL TAU ACCUMULATION PRNP, MAPT, APP ACE 3820/4885MME 363/4885CPA1 4671/4885
US-20230399361-A1 MACROCYCLIC PEPTIDES APP, MAPT, NEFM ACE 2381/4885MME 79/4885CPA1 2089/4885

“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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