SCHEMBL30517386

SCHEMBL30517386

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H]1C(=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 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 6/20 0.48
▸ KISS1R Q969F8 2/20 0.46
▸ F13A1 P00488 1/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ DPP3 Q9NY33 2/20 0.44
▸ IL23R Q5VWK5 1/20 0.43
▸ OPRD1 P41143 3/20 0.43
▸ CAPN1 P07384 2/20 0.43
▸ CTSB P07858 2/20 0.43
▸ NTSR2 O95665 1/20 0.43
▸ NTSR1 P30989 1/20 0.43
▸ SORT1 Q99523 1/20 0.43
▸ TACR1 P25103 1/20 0.42

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
SCHEMBL30517411 0.94 CXCR4 (0.48) CXCR4KISS1RF13A1TGM2DPP3
SCHEMBL30517378 0.91 PCSK9 (0.45) CXCR4KISS1RIL23ROPRD1
SCHEMBL30517354 0.90 CXCR4 (0.45) CXCR4KISS1RIL23ROPRD1
SCHEMBL31130668 0.89 CXCR4 (0.48) CXCR4KISS1RF13A1TGM2DPP3
SCHEMBL30517344 0.88 KISS1R (0.42) CXCR4KISS1RIL23ROPRD1
SCHEMBL30517372 0.87 KISS1R (0.42) CXCR4KISS1RIL23ROPRD1
SCHEMBL30517374 0.86 PCSK9 (0.46) CXCR4F13A1TGM2IL23ROPRD1
SCHEMBL30517370 0.85 PCSK9 (0.47) CXCR4KISS1RIL23R
SCHEMBL30517398 0.84 KISS1R (0.42) CXCR4KISS1RIL23ROPRD1
SCHEMBL30517383 0.84 IL23R (0.47) CXCR4KISS1RIL23R

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 CXCR4 2101/4885KISS1R 894/4885F13A1 2419/4885

“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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