SCHEMBL30517344

SCHEMBL30517344

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 2/20 0.42
▸ CCKBR P32239 5/20 0.41
▸ GLP1R P43220 4/20 0.41
▸ PCSK9 Q8NBP7 2/20 0.41
▸ CXCR4 P61073 2/20 0.40
▸ IL23R Q5VWK5 3/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ CCKAR P32238 1/20 0.39
▸ PRMT1 Q99873 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ NPBWR1 P48145 1/20 0.37

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
SCHEMBL30517378 0.93 PCSK9 (0.45) KISS1RCCKBRPCSK9CXCR4IL23R
SCHEMBL30517354 0.92 CXCR4 (0.45) KISS1RCCKBRPCSK9CXCR4IL23R
SCHEMBL30517386 0.88 CXCR4 (0.48) KISS1RCXCR4IL23ROPRD1
SCHEMBL30517372 0.88 KISS1R (0.42) KISS1RCCKBRPCSK9CXCR4IL23R
SCHEMBL30517370 0.87 PCSK9 (0.47) KISS1RCCKBRPCSK9CXCR4IL23R
SCHEMBL30517398 0.87 KISS1R (0.42) KISS1RCCKBRPCSK9CXCR4IL23R
SCHEMBL30517366 0.86 KISS1R (0.44) KISS1RCCKBRCXCR4IL23RCCKAR
SCHEMBL30517383 0.86 IL23R (0.47) KISS1RCCKBRPCSK9CXCR4IL23R
SCHEMBL31130668 0.85 CXCR4 (0.48) KISS1RPCSK9CXCR4IL23RPRMT1
SCHEMBL30517374 0.85 PCSK9 (0.46) CCKBRPCSK9CXCR4IL23RKEAP1

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 KISS1R 894/4885CCKBR 94/4885GLP1R 73/4885

“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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