SCHEMBL21766696

SCHEMBL21766696

C[C@H](Cc1c[nH]cn1)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@H](C)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 9/20 0.43
▸ BACE2 Q9Y5Z0 3/20 0.43
▸ ERBB2 P04626 1/20 0.41
▸ CTSD P07339 1/20 0.40
▸ GRPR P30550 3/20 0.39
▸ CTSL P07711 3/20 0.38
▸ CTSS P25774 3/20 0.38
▸ CTSK P43235 3/20 0.38
▸ CTSH P09668 1/20 0.38
▸ PTPN1 P18031 2/20 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
SCHEMBL21766715 0.96 BACE1 (0.41) BACE1BACE2ERBB2CTSDGRPR
SCHEMBL21766780 0.96 BACE1 (0.42) BACE1BACE2ERBB2CTSDGRPR
SCHEMBL21766763 0.92 BACE1 (0.40) BACE1BACE2ERBB2CTSDGRPR
SCHEMBL23314229 0.92 ERBB2 (0.40) BACE1BACE2ERBB2CTSDGRPR
SCHEMBL21766757 0.92 ERBB2 (0.40) BACE1BACE2ERBB2CTSDGRPR
SCHEMBL21766714 0.92 BACE1 (0.38) BACE1BACE2ERBB2CTSDGRPR
SCHEMBL21766788 0.88 SIRT2 (0.41) BACE1BACE2ERBB2CTSLCTSS
SCHEMBL21766761 0.88 BACE1 (0.41) BACE1BACE2ERBB2GRPRCTSL
SCHEMBL21766737 0.87 MAGI3 (0.39) BACE1BACE2CTSLCTSSCTSK
SCHEMBL21766784 0.86 ERAP2 (0.37) BACE1BACE2ERBB2GRPRCTSL

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-10994017-B2 Nerve labeling compositions and uses thereof AVELAS BIOSCIENCES, INC. (US) 2021-05-04 — — US disclosed
US-20200061200-A1 NERVE LABELING COMPOSITIONS AND USES THEREOF AVELAS ACQUISITION CORPORATION 2020-02-27 — — 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 (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-20200061200-A1 NERVE LABELING COMPOSITIONS AND USES THEREOF GAP43, NGF, PMP22 BACE1 787/4885BACE2 728/4885ERBB2 2439/4885
US-10994017-B2 Nerve labeling compositions and uses thereof GAP43, NGF, PMP22 BACE1 787/4885BACE2 728/4885ERBB2 2439/4885

“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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