SCHEMBL21766784

SCHEMBL21766784

CN[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 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 1/20 0.37
▸ ERAP1 Q9NZ08 1/20 0.37
▸ LNPEP Q9UIQ6 1/20 0.37
▸ GRPR P30550 3/20 0.35
▸ CTSL P07711 4/20 0.34
▸ CTSS P25774 3/20 0.34
▸ CTSK P43235 3/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.34
▸ CTSH P09668 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ PTPN1 P18031 2/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ KEAP1 Q14145 2/20 0.33
▸ SYK P43405 2/20 0.33

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
SCHEMBL21766737 0.91 MAGI3 (0.39) ERAP2ERAP1LNPEPCTSLCTSS
SCHEMBL21766757 0.91 ERBB2 (0.40) GRPRCTSLCTSSCTSKBACE1
SCHEMBL23314229 0.91 ERBB2 (0.40) GRPRCTSLCTSSCTSKBACE1
SCHEMBL30632041 0.89 ERAP2 (0.41) ERAP2ERAP1LNPEPGRPRCTSL
SCHEMBL21766780 0.87 BACE1 (0.42) GRPRCTSLCTSSCTSKBACE1
SCHEMBL21766696 0.86 BACE1 (0.43) GRPRCTSLCTSSCTSKBACE1
SCHEMBL29790226 0.86 ERAP2 (0.39) ERAP2ERAP1LNPEPBACE1BACE2
SCHEMBL29370955 0.84 BACE1 (0.39) ERAP2ERAP1LNPEPBACE1BACE2
SCHEMBL21766763 0.84 BACE1 (0.40) GRPRCTSLCTSSCTSKBACE1
SCHEMBL21766715 0.83 BACE1 (0.41) GRPRCTSLCTSSCTSKBACE1

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 ERAP2 3586/4885ERAP1 3822/4885LNPEP 416/4885
US-10994017-B2 Nerve labeling compositions and uses thereof GAP43, NGF, PMP22 ERAP2 3586/4885ERAP1 3822/4885LNPEP 416/4885

“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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