SCHEMBL21766788

SCHEMBL21766788

CC(=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](CCCC(=O)O)C(N)=O)[C@H](C)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ BACE1 P56817 1/20 0.39
▸ BACE2 Q9Y5Z0 1/20 0.39
▸ CTSL P07711 2/20 0.38
▸ CTSS P25774 2/20 0.38
▸ CTSK P43235 2/20 0.38
▸ CTSH P09668 1/20 0.38
▸ KISS1R Q969F8 2/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ IL23R Q5VWK5 2/20 0.38
▸ CDYL2 Q8N8U2 1/20 0.37
▸ CDYL Q9Y232 1/20 0.37

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
SCHEMBL21766763 0.92 BACE1 (0.40) BACE1BACE2CTSLCTSSCTSK
SCHEMBL21766737 0.89 MAGI3 (0.39) SIRT5BACE1BACE2CTSLCTSS
SCHEMBL21766780 0.89 BACE1 (0.42) BACE1BACE2CTSLCTSSCTSK
SCHEMBL21766757 0.89 ERBB2 (0.40) BACE1BACE2CTSLCTSSCTSK
SCHEMBL23314229 0.89 ERBB2 (0.40) BACE1BACE2CTSLCTSSCTSK
SCHEMBL21766696 0.88 BACE1 (0.43) BACE1BACE2CTSLCTSSCTSK
SCHEMBL21766761 0.88 BACE1 (0.41) SIRT2SIRT5BACE1BACE2CTSL
SCHEMBL21766715 0.88 BACE1 (0.41) BACE1BACE2CTSLCTSSCTSK
SCHEMBL31746072 0.86 PTPN1 (0.49) SIRT5BACE1BACE2CTSLCTSS
SCHEMBL30632040 0.85 FURIN (0.40) SIRT2SIRT5BACE1

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 SIRT2 3896/4885SIRT5 3484/4885BACE1 787/4885
US-10994017-B2 Nerve labeling compositions and uses thereof GAP43, NGF, PMP22 SIRT2 3896/4885SIRT5 3484/4885BACE1 787/4885

“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.

Send feedback