SCHEMBL30799479

SCHEMBL30799479

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 8/20 0.47
▸ PTPN1 P18031 3/20 0.46
▸ GNPAT O15228 1/20 0.43
▸ BMP1 P13497 1/20 0.42
▸ CTSD P07339 1/20 0.42
▸ NOD1 Q9Y239 2/20 0.42
▸ ENPEP Q07075 5/20 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
SCHEMBL30799678 0.92 PTPN1 (0.52) BACE1PTPN1GNPATBMP1CTSD
SCHEMBL30799831 0.90 BACE1 (0.59) BACE1PTPN1CTSD
SCHEMBL30799624 0.90 BACE1 (0.59) BACE1PTPN1CTSD
SCHEMBL30717261 0.89 BACE1 (0.45) BACE1PTPN1GNPATBMP1CTSD
SCHEMBL30799701 0.88 BACE1 (0.56) BACE1PTPN1CTSD
SCHEMBL31751397 0.87 PTPN1 (0.54) BACE1PTPN1CTSD
SCHEMBL31433288 0.86 NOD1 (0.48) NOD1
SCHEMBL29873723 0.86 FOLH1 (0.49) BACE1PTPN1GNPATNOD1ENPEP
SCHEMBL29777845 0.85 FOLH1 (0.56) BACE1PTPN1GNPATNOD1
SCHEMBL3178877 0.85 PTPN1 (0.52) BACE1PTPN1GNPATCTSDENPEP

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 10/4885PTPN1 2414/4885GNPAT 3689/4885

“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