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Sugi Predict / Compounds / SCHEMBL31665985

SCHEMBL31665985

SCHEMBL31665985

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 10/20 0.64
▸ CXCL8 P10145 5/20 0.58
▸ KISS1R Q969F8 3/20 0.57
▸ NPY1R P25929 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ NPY4R P50391 1/20 0.55
▸ NPY5R Q15761 1/20 0.55
▸ NTSR2 O95665 1/20 0.55
▸ NTSR1 P30989 1/20 0.55
▸ SORT1 Q99523 1/20 0.55

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
SCHEMBL30695167 0.91 CXCR4 (0.62) CXCR4CXCL8KISS1RNTSR2NTSR1
SCHEMBL30381409 0.90 CXCR4 (0.58) CXCR4CXCL8KISS1RNPY1RNPY2R
SCHEMBL29845535 0.89 CXCR4 (0.60) CXCR4CXCL8KISS1RNPY1RNPY2R
SCHEMBL30007711 0.88 KISS1R (0.62) CXCR4KISS1RNTSR2NTSR1SORT1
SCHEMBL30381557 0.88 KISS1R (0.59) CXCR4CXCL8KISS1RNPY1RNPY2R
SCHEMBL29645138 0.88 CXCR4 (0.58) CXCR4CXCL8KISS1R
SCHEMBL29845337 0.87 CXCR4 (0.58) CXCR4CXCL8KISS1RNPY1RNPY2R
SCHEMBL30381291 0.87 KISS1R (0.56) CXCR4CXCL8KISS1R
SCHEMBL31194149 0.87 KISS1R (0.62) CXCR4CXCL8KISS1RNPY1RNPY2R
SCHEMBL31290071 0.87 CXCR4 (0.61) CXCR4KISS1RNTSR2NTSR1SORT1

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-12370255-B2 Peptide-based vaccines, methods of manufacturing, and uses thereof for inducing an immune response BARINTHUS BIOTHERAPEUTICS NORTH AMERICA, INC. (US) 2025-07-29 — — 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-12370255-B2 Peptide-based vaccines, methods of manufacturing, and uses thereof for inducing an immune response MYD88, ICOS, CD4 CXCR4 994/4885CXCL8 209/4885KISS1R 3582/4885

“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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