SCHEMBL29516761

SCHEMBL29516761

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.53
▸ PTGS1 P23219 1/20 0.50
▸ GSTK1 Q9Y2Q3 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ PTGS2 P35354 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TERT O14746 1/20 0.43
▸ NOD1 Q9Y239 1/20 0.40
▸ FNTA P49354 3/20 0.40
▸ FNTB P49356 3/20 0.40
▸ PGGT1B P53609 1/20 0.40
▸ FOLH1 Q04609 1/20 0.39
▸ OPRD1 P41143 5/20 0.37

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
SCHEMBL29373113 1.00 ACE (0.53) ACEPTGS1GSTK1MAPTPTGS2
SCHEMBL30671950 0.92 ACE (0.49) ACEPTGS1GSTK1MAPTPTGS2
SCHEMBL31456588 0.88 ACE (0.50) ACEPTGS1GSTK1MAPTPTGS2
SCHEMBL34433397 0.86 ACE (0.47) ACEPTGS1GSTK1MAPTPTGS2
SCHEMBL1493227 0.85 PTGS1 (0.55) ACEPTGS1GSTK1MAPTPTGS2
SCHEMBL29351781 0.85 MME (0.47) PTGS1GSTK1TERTNOD1OPRD1
SCHEMBL29815598 0.85 PTGS1 (0.49) ACEPTGS1GSTK1MAPTPTGS2
SCHEMBL29496724 0.84 CA2 (0.46) PTGS1GSTK1TERTNOD1ENPEP
SCHEMBL29590916 0.84 ALDH1A1 (0.51) MAPTTERTFOLH1OPRD1OPRM1
SCHEMBL2544386 0.83 ACE (0.69) ACEPTGS1MAPTPTGS2KDM4E

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 9 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20240100203-A1 NOVEL CXCR4-TARGETING COMPOUNDS CXCR4, CXCL12, CXCR2 ACE 3897/4885PTGS1 3437/4885GSTK1 3873/4885
US-20240342321-A1 NOVEL CXCR4-TARGETING COMPOUNDS CXCR4, CXCL12, CXCR2 ACE 3897/4885PTGS1 3437/4885GSTK1 3873/4885
US-12616761-B2 CXCR4-targeting compounds CXCR4, CXCR2, CXCR3 ACE 4450/4885PTGS1 3599/4885GSTK1 3868/4885

“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