SCHEMBL21766768

SCHEMBL21766768

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 1/20 0.36
▸ CASP3 P42574 3/20 0.35
▸ REN P00797 2/20 0.35
▸ PTPN1 P18031 4/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ CALCRL Q16602 2/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ GLP1R P43220 2/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ SCTR P47872 1/20 0.33
▸ HRH1 P35367 2/20 0.32
▸ IL23R Q5VWK5 1/20 0.32

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
SCHEMBL12603082 0.87 ERBB2 (0.39) PSMB5RENPTPN1ERBB2CALCRL
SCHEMBL2742710 0.85 CALCRL (0.37) CASP3PTPN1ERBB2CALCRLCASP7
SCHEMBL12873177 0.85 CALCRL (0.37) CASP3PTPN1ERBB2CALCRLCASP7
SCHEMBL29961965 0.83 CALCRL (0.37) ERBB2CALCRL
SCHEMBL30009160 0.81 CALCRL (0.48) CASP3CALCRLCASP7
SCHEMBL21766737 0.79 MAGI3 (0.39) PTPN1KEAP1
SCHEMBL21766784 0.77 ERAP2 (0.37) PTPN1ERBB2KEAP1
SCHEMBL21766769 0.77 SYK (0.41) GLP1RSCTRIL23R
SCHEMBL30788325 0.77 BACE1 (0.38) CASP3CASP7
SCHEMBL30632044 0.76 PTPN1 (0.39) CASP3PTPN1CASP7KEAP1

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 PSMB5 2101/4885CASP3 1654/4885REN 3034/4885
US-10994017-B2 Nerve labeling compositions and uses thereof GAP43, NGF, PMP22 PSMB5 2101/4885CASP3 1654/4885REN 3034/4885

“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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