SCHEMBL29462904

SCHEMBL29462904

CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 18/20 0.83
▸ GNRHR P30968 2/20 0.64

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
SCHEMBL29635486 0.86 CXCR4 (0.73) CXCR4GNRHR
SCHEMBL29350127 0.82 NTSR2 (0.63) CXCR4GNRHR
SCHEMBL29437878 0.82 CXCR4 (0.91) CXCR4
SCHEMBL29491173 0.82 C5AR1 (0.65) CXCR4GNRHR
SCHEMBL31088157 0.82 GNRHR (0.83) CXCR4GNRHR
SCHEMBL29497292 0.81 AGTR2 (0.67) CXCR4GNRHR
SCHEMBL29914749 0.80 GNRHR (0.85) CXCR4GNRHR
SCHEMBL29716634 0.80 NTSR2 (0.75) CXCR4GNRHR
SCHEMBL30893565 0.80 CXCR4 (0.63) CXCR4
SCHEMBL29373933 0.79 PTGS1 (0.72) CXCR4GNRHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12428456-B2 Peptide directed protein knockdown UNIVERSITY OF BRITISH COLUMBIA (CA) 2025-09-30 — — US disclosed
EP-3962491-B1 INTRACELLULAR DELIVERY OF ANTI-KRAS ANTIBODIES FORMULATED INTO NANOCAPSULES UNIV SANTIAGO COMPOSTELA (ES) 2025-08-06 — — EP disclosed
US-11590198-B2 Methods and reagents for efficient and targeted delivery of therapeutic molecules to CXCR4 cells UNIVERSITAT AUTONOMA DE BARCELONA (ES) 2023-02-28 — — US disclosed
CN-113069555-B Bispecific glycopeptide nano molecule and preparation method and application thereof 国家纳米科学中心 2022-09-06 — — CN disclosed
US-20220177603-A1 INTRACELLULAR DELIVERY OF ANTI-KRAS ANTIBODIES FORMULATED INTO NANOCAPSULES UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2022-06-09 — — US disclosed
EP-3962491-A1 INTRACELLULAR DELIVERY OF ANTI-KRAS ANTIBODIES FORMULATED INTO NANOCAPSULES Universidade De Santiago De Compostela (ES) 2022-03-09 — — EP 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-20220177603-A1 INTRACELLULAR DELIVERY OF ANTI-KRAS ANTIBODIES FORMULATED INTO NANOCAPSULES KRAS, NRAS, TP53 CXCR4 2606/4885GNRHR 4040/4885

“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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