SCHEMBL29645132

SCHEMBL29645132

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 12/20 0.62
▸ NPY1R P25929 1/20 0.57
▸ NPY2R P49146 1/20 0.57
▸ NPY4R P50391 1/20 0.57
▸ NPY5R Q15761 1/20 0.57
▸ IL23R Q5VWK5 1/20 0.56
▸ NTSR2 O95665 1/20 0.56
▸ NTSR1 P30989 1/20 0.56
▸ SORT1 Q99523 1/20 0.56
▸ KEAP1 Q14145 1/20 0.54
▸ KISS1R Q969F8 1/20 0.54
▸ PTH1R Q03431 1/20 0.54
▸ C5AR1 P21730 1/20 0.53

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
SCHEMBL30978822 0.90 CXCR4 (0.60) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29645138 0.90 CXCR4 (0.58) CXCR4KEAP1KISS1RPTH1R
SCHEMBL30431356 0.89 CXCR4 (0.66) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL34461095 0.88 CXCR4 (0.68) CXCR4IL23RNTSR2NTSR1SORT1
SCHEMBL30432221 0.88 IL23R (0.62) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL17327767 0.87 CXCR4 (0.61) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL19361983 0.87 CXCR4 (0.58) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31665985 0.87 CXCR4 (0.64) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31409436 0.86 CXCR4 (0.63) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL34461103 0.86 CXCR4 (0.66) CXCR4IL23RNTSR2NTSR1SORT1

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-20220175955-A1 PEPTIDE DISPLAY TO ANTIGEN PRESENTING CELLS USING LIPID VEHICLE DANMARKS TEKNISKE UNIVERSITET (DK) 2022-06-09 — — 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-20220175955-A1 PEPTIDE DISPLAY TO ANTIGEN PRESENTING CELLS USING LIPID VEHICLE CD74, MICA, TAP1 CXCR4 844/4885NPY1R 1380/4885NPY2R 1550/4885

“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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