SCHEMBL30799516

SCHEMBL30799516

C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 13/20 0.57
▸ ERBB2 P04626 1/20 0.56
▸ GHSR Q92847 2/20 0.55
▸ CCKAR P32238 2/20 0.55
▸ ERAP2 Q6P179 1/20 0.55
▸ OPRD1 P41143 1/20 0.55
▸ BACE1 P56817 2/20 0.53
▸ CASP1 P29466 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ CASP4 P49662 1/20 0.52
▸ CASP5 P51878 1/20 0.52
▸ CASP7 P55210 1/20 0.52
▸ CASP9 P55211 1/20 0.52
▸ CASP6 P55212 1/20 0.52
▸ CASP8 Q14790 1/20 0.52
▸ CASP10 Q92851 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
SCHEMBL30799856 1.00 CCKBR (0.57) CCKBRERBB2GHSRCCKARERAP2
SCHEMBL30799826 0.90 GHSR (0.57) CCKBRGHSRCCKAROPRD1BACE1
SCHEMBL17877082 0.90 ERAP2 (0.57) GHSRERAP2
SCHEMBL18079764 0.90 ERAP2 (0.57) GHSRERAP2
SCHEMBL18256998 0.90 ERAP2 (0.57) GHSRERAP2
SCHEMBL30180772 0.90 OPRD1 (0.59) CCKBRGHSRCCKARERAP2OPRD1
SCHEMBL30799542 0.90 OPRD1 (0.55) CCKBRGHSRCCKARERAP2OPRD1
SCHEMBL30830320 0.90 ERAP2 (0.58) CCKBRERBB2CCKARERAP2OPRD1
SCHEMBL29630749 0.89 ERAP2 (0.61) ERBB2GHSRERAP2OPRD1
SCHEMBL30799693 0.89 BACE1 (0.64) BACE1

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 CCKBR 204/4885ERBB2 1101/4885GHSR 1194/4885

“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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