SCHEMBL29800522

SCHEMBL29800522

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.51
▸ MAGI3 Q5TCQ9 1/20 0.50
▸ PCSK9 Q8NBP7 2/20 0.49
▸ F13A1 P00488 2/20 0.48
▸ TGM2 P21980 2/20 0.48
▸ IL23R Q5VWK5 1/20 0.48
▸ C5AR1 P21730 1/20 0.47
▸ CCKBR P32239 2/20 0.47
▸ CTNNB1 P35222 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ DPP3 Q9NY33 3/20 0.46
▸ NTSR2 O95665 1/20 0.46
▸ NTSR1 P30989 1/20 0.46
▸ SORT1 Q99523 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ CASP4 P49662 1/20 0.46
▸ CASP5 P51878 1/20 0.46
▸ CASP7 P55210 1/20 0.46

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
SCHEMBL29904119 0.98 MAGI3 (0.52) CXCR4MAGI3PCSK9F13A1TGM2
SCHEMBL31191396 0.94 CXCR4 (0.50) CXCR4MAGI3PCSK9F13A1TGM2
SCHEMBL29776260 0.93 DPP3 (0.49) IL23RCCKBRDPP3NTSR2NTSR1
SCHEMBL31191419 0.90 CXCR4 (0.53) CXCR4MAGI3PCSK9F13A1TGM2
SCHEMBL31191387 0.90 MAGI3 (0.55) CXCR4MAGI3PCSK9F13A1TGM2
SCHEMBL15506563 0.90 CXCR4 (0.50) CXCR4MAGI3PCSK9F13A1TGM2
SCHEMBL31067243 0.89 OPRD1 (0.54) NTSR2NTSR1
SCHEMBL16924687 0.89 MAGI3 (0.47) CXCR4MAGI3F13A1TGM2IL23R
SCHEMBL5497929 0.88 GRPR (0.53) CXCR4CCKBRNTSR2NTSR1SORT1
SCHEMBL31670608 0.85 DPP3 (0.55) CXCR4C5AR1DPP3NTSR2NTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287147-A1 PD-L1 BINDING PEPTIDES AND PEPTIDE COMPLEXES AND METHODS OF USE THEREOF Blaze Bioscience, Inc. 2024-08-29 — — US disclosed
CN-109422799-B Docetaxel liver cancer-resisting targeted prodrug and medicinal application thereof 复旦大学 2022-07-29 — — 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-20240287147-A1 PD-L1 BINDING PEPTIDES AND PEPTIDE COMPLEXES AND METHODS OF USE THEREOF PDCD1LG2, CD274, PDCD1 CXCR4 206/4885MAGI3 3900/4885PCSK9 2830/4885

“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.

Send feedback