SCHEMBL30517370

SCHEMBL30517370

CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)O)[C@@H](C)CC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 2/20 0.47
▸ IL23R Q5VWK5 3/20 0.45
▸ KEAP1 Q14145 1/20 0.44
▸ KISS1R Q969F8 3/20 0.44
▸ CCKBR P32239 6/20 0.43
▸ CCKAR P32238 2/20 0.43
▸ CXCR4 P61073 2/20 0.42
▸ MAGI3 Q5TCQ9 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL30517383 0.97 IL23R (0.47) PCSK9IL23RKEAP1KISS1RCCKBR
SCHEMBL30517393 0.96 CCKBR (0.46) PCSK9IL23RKEAP1CCKBRCCKAR
SCHEMBL30517378 0.94 PCSK9 (0.45) PCSK9IL23RKEAP1KISS1RCCKBR
SCHEMBL30517411 0.91 CXCR4 (0.48) IL23RKISS1RCCKBRCXCR4
SCHEMBL30517373 0.90 CXCR4 (0.48) PCSK9IL23RKISS1RCCKBRCXCR4
SCHEMBL29417870 0.90 CXCR4 (0.48) PCSK9IL23RKISS1RCCKBRCXCR4
SCHEMBL30517354 0.90 CXCR4 (0.45) PCSK9IL23RKEAP1KISS1RCCKBR
SCHEMBL30517344 0.87 KISS1R (0.42) PCSK9IL23RKEAP1KISS1RCCKBR
SCHEMBL30517398 0.87 KISS1R (0.42) PCSK9IL23RKEAP1KISS1RCCKBR
SCHEMBL29366452 0.86 PCSK9 (0.52) PCSK9IL23RCCKBRCCKARMAGI3

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-20230220001-A1 METHOD FOR SYNTHESIS OF THIOETHER-CONTAINING PEPTIDES HEIDELBERG PHARMA RESEARCH GMBH (DE) 2023-07-13 — — 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-20230220001-A1 METHOD FOR SYNTHESIS OF THIOETHER-CONTAINING PEPTIDES TST, PTMS, CTH PCSK9 2708/4885IL23R 2062/4885KEAP1 811/4885

“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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