SCHEMBL29516388

SCHEMBL29516388

C[C@H](N)C(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 8/20 0.50
▸ NAALAD2 Q9Y3Q0 2/20 0.50
▸ NOD1 Q9Y239 1/20 0.50
▸ RIMKLA Q8IXN7 1/20 0.50
▸ GLO1 Q04760 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ GSTK1 Q9Y2Q3 1/20 0.45
▸ GNPAT O15228 1/20 0.44
▸ GABRP O00591 2/20 0.42
▸ GABRD O14764 2/20 0.42
▸ GABRA1 P14867 2/20 0.42
▸ GABRB1 P18505 2/20 0.42
▸ GABRG2 P18507 2/20 0.42
▸ GABRB3 P28472 2/20 0.42
▸ GABRA5 P31644 2/20 0.42
▸ GABRA3 P34903 2/20 0.42
▸ GABRA2 P47869 2/20 0.42
▸ GABRB2 P47870 2/20 0.42
▸ GABRA4 P48169 2/20 0.42
▸ GABRE P78334 2/20 0.42

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
SCHEMBL30662550 1.00 FOLH1 (0.50) FOLH1NAALAD2NOD1RIMKLAGLO1
SCHEMBL30930160 0.93 NOD1 (0.48) FOLH1NAALAD2NOD1RIMKLAGLO1
SCHEMBL29350589 0.92 NOD1 (0.47) FOLH1NAALAD2NOD1RIMKLAGLO1
SCHEMBL7614754 0.90 NOD1 (0.52) FOLH1NAALAD2NOD1RIMKLAGLO1
SCHEMBL7614745 0.90 NOD1 (0.52) FOLH1NAALAD2NOD1RIMKLAGLO1
SCHEMBL30920966 0.88 NOD1 (0.52) FOLH1NAALAD2NOD1RIMKLAGLO1
SCHEMBL30964515 0.87 CTSC (0.48) FOLH1NAALAD2NOD1RIMKLAGLO1
SCHEMBL30292792 0.86 PTGS1 (0.52) FOLH1NAALAD2NOD1RIMKLAGLO1
SCHEMBL30193320 0.86 FOLH1 (0.55) FOLH1NAALAD2NOD1RIMKLAGLO1
SCHEMBL31402734 0.85 NOD1 (0.46) FOLH1NAALAD2NOD1RIMKLAGLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12616761-B2 CXCR4-targeting compounds THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2026-05-05 — — US claimed
US-20240342321-A1 NOVEL CXCR4-TARGETING COMPOUNDS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-10-17 — — US claimed
US-20240100203-A1 NOVEL CXCR4-TARGETING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2024-03-28 — — US claimed
EP-4232459-A1 NOVEL CXCR4-TARGETING COMPOUNDS Provincial Health Services Authority (CA) 2023-08-30 — — EP claimed
CN-116457028-A Novel CXCR4 targeting compounds 省卫生服务机构 2023-07-18 — — CN claimed
WO-2022082312-A1 NOVEL CXCR4-TARGETING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-04-28 — — WO claimed
US-12616761-B2 CXCR4-targeting compounds THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2026-05-05 — — US disclosed
US-20250242064-A1 CXCR4-TARGETING COMPOUNDS, AND METHODS OF MAKING AND USING THE SAME ALPHA-9 ONCOLOGY INC. (CA) 2025-07-31 — — US disclosed
EP-4511384-A1 CXCR4-TARGETING COMPOUNDS, AND METHODS OF MAKING AND USING THE SAME Provincial Health Services Authority (CA) 2025-02-26 — — EP disclosed
US-20240342321-A1 NOVEL CXCR4-TARGETING COMPOUNDS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-10-17 — — US disclosed
US-20240100203-A1 NOVEL CXCR4-TARGETING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2024-03-28 — — US disclosed
WO-2023201435-A1 CXCR4-TARGETING COMPOUNDS, AND METHODS OF MAKING AND USING THE SAME PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-10-26 — — WO disclosed
EP-4232459-A1 NOVEL CXCR4-TARGETING COMPOUNDS Provincial Health Services Authority (CA) 2023-08-30 — — EP disclosed
CN-116457028-A Novel CXCR4 targeting compounds 省卫生服务机构 2023-07-18 — — CN disclosed
WO-2022082312-A1 NOVEL CXCR4-TARGETING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-04-28 — — WO 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 (4 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-20250242064-A1 CXCR4-TARGETING COMPOUNDS, AND METHODS OF MAKING AND USING THE SAME CXCR4, CXCL12, ACKR3 FOLH1 497/4885NAALAD2 2878/4885NOD1 1798/4885
US-20240100203-A1 NOVEL CXCR4-TARGETING COMPOUNDS CXCR4, CXCL12, CXCR2 FOLH1 628/4885NAALAD2 3335/4885NOD1 2408/4885
US-20240342321-A1 NOVEL CXCR4-TARGETING COMPOUNDS CXCR4, CXCL12, CXCR2 FOLH1 628/4885NAALAD2 3335/4885NOD1 2408/4885
US-12616761-B2 CXCR4-targeting compounds CXCR4, CXCR2, CXCR3 FOLH1 756/4885NAALAD2 1266/4885NOD1 1336/4885

“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