SCHEMBL29385707

SCHEMBL29385707

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 6/20 0.77
▸ F12 P00748 10/20 0.57
▸ PIN1 Q13526 4/20 0.54

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
SCHEMBL29932137 1.00 CXCR4 (0.77) CXCR4F12PIN1
SCHEMBL15987184 1.00 CXCR4 (0.77) CXCR4F12PIN1
SCHEMBL29466599 0.97 CXCR4 (0.73) CXCR4F12
SCHEMBL29370908 0.97 CXCR4 (0.73) CXCR4F12
SCHEMBL31692775 0.97 CXCR4 (0.73) CXCR4F12
SCHEMBL29466605 0.95 CXCR4 (0.71) CXCR4F12
SCHEMBL29836096 0.94 CXCR4 (0.68) CXCR4F12
SCHEMBL29932269 0.94 CXCR4 (0.68) CXCR4F12
SCHEMBL29932059 0.94 CXCR4 (0.68) CXCR4F12
SCHEMBL29932154 0.94 CXCR4 (0.68) CXCR4F12

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12540172-B2 Therapeutic nanoconjugates comprising Stefin A and uses thereof UNIVERSITAT AUTONOMA DE BARCELONA (UAB) (ES) 2026-02-03 — — US disclosed
US-20250288704-A1 CXCR4-LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC USE AND PRECURSORS THEREOF Technische Universität München (DE) 2025-09-18 — — US disclosed
US-20250243250-A1 THERAPEUTIC NANOCONJUGATES AND USES THEREOF UNIV AUTÒNOMA DE BARCELONA UAB (ES) 2025-07-31 — — US disclosed
CN-119661653-A CXCR4 targeted diagnostic and therapeutic agents with reduced species selectivity 慕尼黑工业大学 2025-03-21 — — CN disclosed
US-12202866-B2 Therapeutic nanoconjugates and uses thereof UNIVERSITAT AUTONOMA DE BARCELONA (UAB) (ES) 2025-01-21 — — US disclosed
CN-112673015-B CXCR4 targeted diagnostic and therapeutic agents with reduced species selectivity 慕尼黑工业大学 2025-01-07 — — CN disclosed
US-12116592-B2 Methods and compositions for ex vivo expansion of very small embryonic-like stem cells (VSELs) UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2024-10-15 — — US disclosed
US-20240293587-A1 CXCR4-TARGETED DIAGNOSTIC AND THERAPEUTIC AGENTS WITH REDUCED SPECIES SELECTIVITY Technische Universität München (DE) 2024-09-05 — — US disclosed
EP-3849997-B1 CXCR4-TARGETED DIAGNOSTIC AND THERAPEUTIC AGENTS WITH REDUCED SPECIES SELECTIVITY UNIV MUENCHEN TECH (DE) 2024-05-01 — — EP disclosed
US-11944691-B2 CXCR4-targeted diagnostic and therapeutic agents with reduced species selectivity Technische Universität München (DE) 2024-04-02 — — US disclosed
US-20230068834-A1 SCAFFOLD PROTEINS AND THERAPEUTIC NANOCONJUGATES BASED ON NIDOGEN FUNDACIÓ INSTITUT DE RECERCA DE L'HOSPITAL DE LA SANTA CREU I SANT PAU (ES) 2023-03-02 — — US 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
EP-4081538-A1 SCAFFOLD PROTEINS AND THERAPEUTIC NANOCONJUGATES BASED ON NIDOGEN Universitat Autònoma de Barcelona (ES) 2022-11-02 — — EP disclosed
WO-2022171869-A1 CXCR4-LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC USE AND PRECURSORS THEREOF Technische Universität München (DE) 2022-08-18 — — WO disclosed
EP-4043041-A1 CXCR4-LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC USE AND PRECURSORS THEREOF Technische Universität München (DE) 2022-08-17 — — EP disclosed
US-11312940-B2 Progenitor cells and methods for preparing and using the same UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2022-04-26 — — US disclosed
US-20220072084-A1 THERAPEUTIC NANOCONJUGATES AND USES THEREOF UNIVERSITAT AUTONOMA DE BARCELONA (UAB) (ES) 2022-03-10 — — US disclosed
US-20220056404-A1 METHODS AND COMPOSITIONS FOR EX VIVO EXPANSION OF VERY SMALL EMBRYONIC-LIKE STEM CELLS (VSELS) UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2022-02-24 — — US disclosed
US-20220040339-A1 CXCR4-TARGETED DIAGNOSTIC AND THERAPEUTIC AGENTS WITH REDUCED SPECIES SELECTIVITY Technische Universität München (DE) 2022-02-10 — — US disclosed
US-20220041674-A1 THERAPEUTIC AND DIAGNOSTIC AGENTS FOR CANCER Technische Universität München (DE) 2022-02-10 — — 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 (6 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-20220040339-A1 CXCR4-TARGETED DIAGNOSTIC AND THERAPEUTIC AGENTS WITH REDUCED SPECIES SELECTIVITY CXCR4, CXCR3, ACKR3 CXCR4 1/4885F12 3065/4885PIN1 3027/4885
US-20220041674-A1 THERAPEUTIC AND DIAGNOSTIC AGENTS FOR CANCER CXCR4, CXCL12, CXCR3 CXCR4 1/4885F12 3396/4885PIN1 3287/4885
US-20240293587-A1 CXCR4-TARGETED DIAGNOSTIC AND THERAPEUTIC AGENTS WITH REDUCED SPECIES SELECTIVITY CXCR4, CXCR3, ACKR3 CXCR4 1/4885F12 3065/4885PIN1 3027/4885
US-20250288704-A1 CXCR4-LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC USE AND PRECURSORS THEREOF CXCR4, CXCR1, CXCR3 CXCR4 1/4885F12 1784/4885PIN1 1341/4885
US-11944691-B2 CXCR4-targeted diagnostic and therapeutic agents with reduced species selectivity CXCR4, CXCR3, ACKR3 CXCR4 1/4885F12 3065/4885PIN1 3027/4885
US-12540172-B2 Therapeutic nanoconjugates comprising Stefin A and uses thereof MYOF, MSTN, NGLY1 CXCR4 3228/4885F12 1158/4885PIN1 1848/4885

“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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