SCHEMBL21766720

SCHEMBL21766720

CNC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCC(=O)O)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)C(C)C)[C@H](C)O)[C@H](C)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ GRPR P30550 3/20 0.35
▸ CDYL2 Q8N8U2 1/20 0.35
▸ CDYL Q9Y232 1/20 0.35
▸ CTSL P07711 2/20 0.33
▸ CTSS P25774 2/20 0.33
▸ CTSK P43235 2/20 0.33
▸ CTSH P09668 1/20 0.33
▸ IL23R Q5VWK5 1/20 0.33
▸ KISS1R Q969F8 2/20 0.33
▸ GLP1R P43220 1/20 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
SCHEMBL21766714 0.88 BACE1 (0.38) ERBB2GRPR
SCHEMBL21766788 0.85 SIRT2 (0.41) ERBB2CDYL2CDYLCTSLCTSS
SCHEMBL21766763 0.84 BACE1 (0.40) ERBB2GRPRCDYL2CDYLCTSL
SCHEMBL21766761 0.83 BACE1 (0.41) ERBB2GRPRCTSLCTSSCTSK
SCHEMBL23314229 0.82 ERBB2 (0.40) ERBB2GRPRCTSLCTSSCTSK
SCHEMBL21766757 0.82 ERBB2 (0.40) ERBB2GRPRCTSLCTSSCTSK
SCHEMBL21766715 0.82 BACE1 (0.41) ERBB2GRPRCDYL2CDYLCTSL
SCHEMBL21766696 0.82 BACE1 (0.43) ERBB2GRPRCTSLCTSSCTSK
SCHEMBL30632040 0.81 FURIN (0.40) —
SCHEMBL21766780 0.81 BACE1 (0.42) ERBB2GRPRCTSLCTSSCTSK

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 MMP1 2080/4885MMP8 1951/4885ERBB2 2439/4885
US-10994017-B2 Nerve labeling compositions and uses thereof GAP43, NGF, PMP22 MMP1 2080/4885MMP8 1951/4885ERBB2 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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