SCHEMBL30799406

SCHEMBL30799406

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nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 10/20 0.52
▸ ECE1 P42892 2/20 0.49
▸ CTSD P07339 3/20 0.44
▸ PTPN1 P18031 2/20 0.44
▸ GNPAT O15228 1/20 0.43
▸ OPRD1 P41143 1/20 0.42
▸ ENPEP Q07075 1/20 0.41

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
SCHEMBL30808878 0.96 ECE1 (0.52) BACE1ECE1CTSDPTPN1
SCHEMBL29888789 0.94 BACE1 (0.55) BACE1ECE1CTSDPTPN1
SCHEMBL31265326 0.92 PDCD1LG2 (0.50) BACE1ECE1CTSDGNPATOPRD1
SCHEMBL31256966 0.92 PDCD1LG2 (0.50) BACE1ECE1CTSDGNPATOPRD1
SCHEMBL29834941 0.91 ECE1 (0.49) BACE1ECE1GNPATENPEP
SCHEMBL29834936 0.91 ECE1 (0.49) BACE1ECE1GNPATENPEP
SCHEMBL29642049 0.91 ECE1 (0.49) BACE1ECE1GNPATENPEP
SCHEMBL29834955 0.91 ECE1 (0.49) BACE1ECE1GNPATENPEP
SCHEMBL29606984 0.91 BACE1 (0.43) BACE1ECE1PTPN1GNPATENPEP
SCHEMBL30313441 0.91 BACE1 (0.43) BACE1ECE1PTPN1GNPATENPEP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116985-A1 STAPLED PEPTIDES AND METHODS THEREOF PARABILIS MEDICINES, INC. 2024-04-11 — — 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 (1 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-20240116985-A1 STAPLED PEPTIDES AND METHODS THEREOF CTNNB1, APC, CTNNA1 BACE1 10/4885ECE1 1922/4885CTSD 2704/4885

“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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