SCHEMBL29645138

SCHEMBL29645138

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)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CS)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 10/20 0.58
▸ KISS1R Q969F8 4/20 0.53
▸ CTSL P07711 2/20 0.51
▸ CTSS P25774 2/20 0.51
▸ CTSK P43235 2/20 0.51
▸ CXCL8 P10145 1/20 0.51
▸ KEAP1 Q14145 1/20 0.51
▸ CTSH P09668 1/20 0.50
▸ PTH1R Q03431 1/20 0.50

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
SCHEMBL29645132 0.90 CXCR4 (0.62) CXCR4KISS1RKEAP1PTH1R
SCHEMBL30495593 0.89 CXCR4 (0.69) CXCR4KISS1RCXCL8
SCHEMBL19361983 0.89 CXCR4 (0.58) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31665985 0.88 CXCR4 (0.64) CXCR4KISS1RCXCL8
SCHEMBL31556101 0.86 CXCR4 (0.64) CXCR4KISS1RCTSLCTSSCTSK
SCHEMBL30431356 0.86 CXCR4 (0.66) CXCR4KISS1RCTSLCTSSCTSK
SCHEMBL29674837 0.85 CXCR4 (0.61) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29674968 0.85 CXCR4 (0.61) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29895404 0.85 CXCR4 (0.61) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30381291 0.85 KISS1R (0.56) CXCR4KISS1RCTSLCTSSCTSK

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 844/4885KISS1R 3956/4885CTSL 427/4885

“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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