SCHEMBL30517374

SCHEMBL30517374

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 2/20 0.46
▸ CXCR4 P61073 2/20 0.45
▸ OPRM1 P35372 2/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ PRMT1 Q99873 1/20 0.43
▸ IL23R Q5VWK5 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ CCKBR P32239 4/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ F13A1 P00488 1/20 0.41
▸ TGM2 P21980 1/20 0.41

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
SCHEMBL31130668 0.96 CXCR4 (0.48) PCSK9CXCR4OPRM1OPRD1PRMT1
SCHEMBL30517378 0.91 PCSK9 (0.45) PCSK9CXCR4OPRM1OPRD1PRMT1
SCHEMBL30517373 0.90 CXCR4 (0.48) PCSK9CXCR4IL23RCCKBRF13A1
SCHEMBL29417870 0.90 CXCR4 (0.48) PCSK9CXCR4IL23RCCKBRF13A1
SCHEMBL30517375 0.88 PRMT1 (0.51) PCSK9OPRM1OPRD1PRMT1KMT2A
SCHEMBL30517354 0.87 CXCR4 (0.45) PCSK9CXCR4OPRM1OPRD1PRMT1
SCHEMBL30517386 0.86 CXCR4 (0.48) CXCR4OPRD1IL23RF13A1TGM2
SCHEMBL30517370 0.85 PCSK9 (0.47) PCSK9CXCR4IL23RKEAP1CCKBR
SCHEMBL30517372 0.85 KISS1R (0.42) PCSK9CXCR4OPRM1OPRD1PRMT1
SCHEMBL30517344 0.85 KISS1R (0.42) PCSK9CXCR4OPRM1OPRD1PRMT1

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 2708/4885CXCR4 2101/4885OPRM1 4164/4885

“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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