SCHEMBL30799669

SCHEMBL30799669

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 7/20 0.55
▸ LTA4H P09960 2/20 0.54
▸ MME P08473 4/20 0.52
▸ CTRB1 P17538 3/20 0.51
▸ ACE P12821 2/20 0.51
▸ CPA1 P15085 2/20 0.51
▸ ACE2 Q9BYF1 2/20 0.51
▸ MMP2 P08253 1/20 0.50
▸ MMP7 P09237 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP12 P39900 1/20 0.50
▸ MMP13 P45452 1/20 0.50

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
SCHEMBL10870464 0.95 MME (0.56) LTA4HMMECTRB1ACECPA1
SCHEMBL31181218 0.95 MME (0.56) LTA4HMMECTRB1ACECPA1
SCHEMBL10866909 0.95 MME (0.56) LTA4HMMECTRB1ACECPA1
SCHEMBL30799883 0.92 MME (0.56) MMECTRB1ACECPA1ACE2
SCHEMBL11799997 0.92 MME (0.56) MMECTRB1ACECPA1ACE2
SCHEMBL10646220 0.92 MME (0.58) MMECTRB1ACECPA1ACE2
SCHEMBL29470194 0.92 MME (0.58) MMECTRB1ACECPA1ACE2
SCHEMBL29531510 0.92 MME (0.58) MMECTRB1ACECPA1ACE2
SCHEMBL10646215 0.92 MME (0.58) MMECTRB1ACECPA1ACE2
SCHEMBL30799836 0.92 BACE1 (0.64) BACE1LTA4H

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 10/4885LTA4H 4132/4885MME 467/4885

“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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