SCHEMBL30041739

SCHEMBL30041739

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.57
▸ CTSB P07858 2/20 0.57
▸ CXCR4 P61073 5/20 0.55
▸ C5AR1 P21730 1/20 0.53
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ NPY5R Q15761 1/20 0.52
▸ DPP3 Q9NY33 2/20 0.51
▸ CTNNB1 P35222 3/20 0.51
▸ F13A1 P00488 2/20 0.51
▸ TGM2 P21980 2/20 0.51
▸ KISS1R Q969F8 2/20 0.50
▸ TACR2 P21452 1/20 0.49
▸ GLP1R P43220 1/20 0.49
▸ GCGR P47871 1/20 0.49
▸ GIPR P48546 1/20 0.49

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
SCHEMBL30343341 0.88 DPP3 (0.55) CAPN1CTSBCXCR4C5AR1NPY1R
SCHEMBL31208374 0.87 C5AR1 (0.58) CAPN1CTSBCXCR4C5AR1CTNNB1
SCHEMBL30735734 0.87 CXCR4 (0.58) CAPN1CTSBCXCR4DPP3F13A1
SCHEMBL29463717 0.86 CAPN1 (0.63) CAPN1CTSBCXCR4C5AR1NPY1R
SCHEMBL30498685 0.85 CXCR4 (0.63) CAPN1CTSBCXCR4C5AR1KISS1R
SCHEMBL31158220 0.85 CXCR4 (0.68) CAPN1CTSBCXCR4C5AR1NPY1R
SCHEMBL30343340 0.84 C5AR1 (0.60) CXCR4C5AR1CTNNB1F13A1TGM2
SCHEMBL30361030 0.84 F13A1 (0.56) CAPN1CTSBCXCR4C5AR1DPP3
SCHEMBL30565410 0.84 C5AR1 (0.56) CAPN1CTSBCXCR4C5AR1DPP3
SCHEMBL31235874 0.84 CXCR4 (0.58) CXCR4NPY1RNPY2RNPY4RNPY5R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115279420-B Polyol-based polypolyxylitol gene transporter containing cancer stem cell specific binding peptide and binding to vitamin B6 埃尔比奥股份有限公司 2024-05-28 — — CN disclosed
US-20230098307-A1 VITAMIN B6-COUPLED POLYOL-BASED POLYDIXYLITOL GENE TRANSPORTER COMPRISING PEPTIDE BINDING SPECIFICALLY TO CANCER STEM CELL AND CANCER STEM CELL-TARGETED THERAPY TECHNIQUE ELBIO INC (KR) 2023-03-30 — — US disclosed
CN-115279420-A Polyol-based polydixylitol gene transporter containing cancer stem cell specific binding peptide and binding with vitamin B6, and cancer stem cell targeted therapy technology 埃尔比奥股份有限公司 2022-11-01 — — CN 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-20230098307-A1 VITAMIN B6-COUPLED POLYOL-BASED POLYDIXYLITOL GENE TRANSPORTER COMPRISING PEPTIDE BINDING SPECIFICALLY TO CANCER STEM CELL AND CANCER STEM CELL-TARGETED THERAPY TECHNIQUE SLC19A2, SLC19A1, SLC46A1 CAPN1 4819/4885CTSB 4127/4885CXCR4 666/4885

“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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