SCHEMBL31013465

SCHEMBL31013465

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 8/20 0.56
▸ PCSK9 Q8NBP7 2/20 0.54
▸ C5AR1 P21730 2/20 0.54
▸ OPRD1 P41143 2/20 0.53
▸ NTSR2 O95665 1/20 0.53
▸ NTSR1 P30989 1/20 0.53
▸ SORT1 Q99523 1/20 0.53
▸ F13A1 P00488 1/20 0.50
▸ TGM2 P21980 1/20 0.50
▸ IL23R Q5VWK5 1/20 0.50
▸ MC4R P32245 1/20 0.50
▸ MC5R P33032 1/20 0.50
▸ MC3R P41968 1/20 0.50
▸ MC1R Q01726 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
SCHEMBL29641634 0.85 KEAP1 (0.52) CXCR4NTSR2NTSR1SORT1F13A1
SCHEMBL30477220 0.85 KEAP1 (0.52) CXCR4NTSR2NTSR1SORT1F13A1
SCHEMBL29465231 0.85 CXCR4 (0.56) CXCR4PCSK9C5AR1OPRD1
SCHEMBL30436604 0.85 CXCR4 (0.63) CXCR4
SCHEMBL31105379 0.85 NPY1R (0.64) CXCR4C5AR1IL23R
SCHEMBL29973187 0.85 CXCR4 (0.56) CXCR4C5AR1NTSR2NTSR1SORT1
SCHEMBL31191176 0.84 C5AR1 (0.64) CXCR4C5AR1NTSR2NTSR1SORT1
SCHEMBL29556676 0.84 CXCR4 (0.55) CXCR4C5AR1NTSR2NTSR1SORT1
SCHEMBL29800522 0.84 CXCR4 (0.51) CXCR4PCSK9C5AR1NTSR2NTSR1
SCHEMBL30216754 0.83 NTSR2 (0.62) CXCR4C5AR1NTSR2NTSR1SORT1

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-20240252662-A1 PEPTIDE DRUG CONJUGATES SPECIFIC TO FIBRONECTIN ISOTYPES FOR CANCER THERAPY CASE WESTERN RESERVE UNIVERSITY 2024-08-01 — — 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-20240252662-A1 PEPTIDE DRUG CONJUGATES SPECIFIC TO FIBRONECTIN ISOTYPES FOR CANCER THERAPY FN1, IDUA, INHA CXCR4 1213/4885PCSK9 2143/4885C5AR1 900/4885

“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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