SCHEMBL30799536

SCHEMBL30799536

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

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.64
▸ GNPAT O15228 1/20 0.58
▸ ACE P12821 1/20 0.57
▸ CTSS P25774 1/20 0.55
▸ CTSK P43235 1/20 0.55
▸ MME P08473 4/20 0.53
▸ ANPEP P15144 1/20 0.53
▸ ECE1 P42892 1/20 0.53
▸ PAM P19021 1/20 0.52
▸ REN P00797 1/20 0.52

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
SCHEMBL9571896 0.92 CTSS (0.63) LTA4HGNPATACECTSSCTSK
SCHEMBL11113189 0.92 CTSS (0.63) LTA4HGNPATACECTSSCTSK
SCHEMBL9571894 0.92 CTSS (0.63) LTA4HGNPATACECTSSCTSK
SCHEMBL17732682 0.91 GNPAT (0.60) LTA4HGNPATACECTSSCTSK
SCHEMBL7437335 0.89 GNPAT (0.63) GNPATACECTSSCTSKMME
SCHEMBL30533197 0.89 GNPAT (0.67) LTA4HGNPATACECTSSCTSK
SCHEMBL17732678 0.89 GNPAT (0.67) LTA4HGNPATACECTSSCTSK
SCHEMBL30799905 0.89 GNPAT (0.67) LTA4HGNPATACECTSSCTSK
SCHEMBL17732667 0.88 GNPAT (0.56) GNPATACECTSSCTSKMME
SCHEMBL31651396 0.87 GNPAT (0.61) GNPATACECTSSCTSKMME

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 4132/4885GNPAT 3689/4885ACE 736/4885

“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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