SCHEMBL30799740

SCHEMBL30799740

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.58
BACE1 P56817 5/20 0.58
PTPN1 P18031 3/20 0.57
OPRD1 P41143 5/20 0.50
OPRM1 P35372 4/20 0.50
BACE2 Q9Y5Z0 2/20 0.50
OPRK1 P41145 1/20 0.50
MME P08473 1/20 0.49
ANPEP P15144 1/20 0.49
ECE1 P42892 1/20 0.49

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
SCHEMBL30799383 0.95 BACE1 (0.63) LTA4HBACE1PTPN1BACE2
SCHEMBL30799836 0.94 BACE1 (0.64) LTA4HBACE1PTPN1
SCHEMBL30799609 0.93 PTPN1 (0.63) LTA4HBACE1PTPN1BACE2
SCHEMBL30799695 0.92 BACE1 (0.58) LTA4HBACE1PTPN1BACE2MME
SCHEMBL30799813 0.91 BACE1 (0.66) BACE1PTPN1BACE2
SCHEMBL30799539 0.91 BACE1 (0.64) BACE1PTPN1OPRD1BACE2
SCHEMBL30799637 0.91 BACE1 (0.64) LTA4HBACE1PTPN1OPRD1OPRM1
SCHEMBL31307273 0.91 PTPN1 (0.58) BACE1PTPN1BACE2
SCHEMBL29470160 0.90 BACE1 (0.59) LTA4HBACE1OPRD1MME
SCHEMBL30799591 0.90 BACE1 (0.56) BACE1PTPN1BACE2

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 LTA4H 4132/4885BACE1 10/4885PTPN1 2414/4885

“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.