SCHEMBL29407853

SCHEMBL29407853

C=CCOC(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ TLR2 O60603 2/20 0.51
▸ CASP3 P42574 2/20 0.48
▸ MDM2 Q00987 5/20 0.48
▸ CASP1 P29466 2/20 0.47
▸ TNF P01375 1/20 0.47
▸ SLC17A5 Q9NRA2 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL178741 1.00 MDM4 (0.51) MDM4TP53TLR2CASP3MDM2
SCHEMBL29376536 1.00 MDM4 (0.51) MDM4TP53TLR2CASP3MDM2
SCHEMBL119481 1.00 MDM4 (0.51) MDM4TP53TLR2CASP3MDM2
SCHEMBL30055069 1.00 MDM4 (0.51) MDM4TP53TLR2CASP3MDM2
SCHEMBL25358998 0.94 MDM2 (0.51) MDM4TP53TLR2CASP3MDM2
SCHEMBL31398353 0.94 MDM2 (0.51) MDM4TP53TLR2CASP3MDM2
SCHEMBL31398346 0.94 MDM2 (0.51) MDM4TP53TLR2CASP3MDM2
SCHEMBL31689003 0.93 MDM2 (0.50) MDM4TP53TLR2CASP3MDM2
SCHEMBL29398655 0.92 TLR2 (0.48) MDM4TP53TLR2CASP3MDM2
SCHEMBL14417867 0.91 CASP3 (0.46) MDM4TP53TLR2CASP3MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116496356-A CXCR4 specific molecular imaging probe and preparation method and application thereof 上海交通大学医学院附属仁济医院 2023-07-28 — — CN claimed
US-12616761-B2 CXCR4-targeting compounds THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2026-05-05 — — US disclosed
EP-4704904-A1 TETRAZINE-BASED TARGETING AGENTS FOR IN VIVO DELIVERY OF A PAYLOAD Tambo, Inc. (US) 2026-03-11 — — EP disclosed
EP-4667019-A1 PSMA-TARGETED RADIOPHARMACEUTICAL, AND SYNTHESIS AND USE THEREOF Norroy Bioscience Co., Ltd. (CN) 2025-12-24 — — EP 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
WO-2025089217-A1 COMPOUND FOR USE AS SUBSTRATE FOR EVALUATING ACTIVITY OF γ-D-GLUTAMYL-L-LYSYL ENDOPEPTIDASE 株式会社ヤクルト本社 2025-05-01 — — WO disclosed
WO-2025070731-A1 PEPTIDEPEPTIDE ペプチドリーム株式会社 2025-04-03 — — WO disclosed
WO-2025070720-A1 PEPTIDE ペプチドリーム株式会社 2025-04-03 — — WO 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
WO-2024229427-A1 TETRAZINE-BASED TARGETING AGENTS FOR IN VIVO DELIVERY OF A PAYLOAD TAMBO, INC. (US) 2024-11-07 — — WO disclosed
CN-116496356-A CXCR4 specific molecular imaging probe and preparation method and application thereof 上海交通大学医学院附属仁济医院 2023-07-28 — — CN disclosed
CN-116457028-A Novel CXCR4 targeting compounds 省卫生服务机构 2023-07-18 — — CN disclosed
US-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. 2023-04-27 — — US disclosed
US-11629171-B2 Beta-hairpin peptidomimetics SPEXIS AG (CH) 2023-04-18 — — US disclosed
US-20230028880-A1 CD38-BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. 2023-01-26 — — US disclosed
US-20220218852-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-07-14 — — US disclosed
WO-2022082312-A1 NOVEL CXCR4-TARGETING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-04-28 — — WO disclosed
CN-114401732-A CD38 binding agents and uses thereof 克莱奥药品有限公司 2022-04-26 — — CN disclosed
CN-114364690-A Novel radiolabeled CXCR4 targeting compounds for diagnosis and therapy 省卫生服务机构 2022-04-15 — — CN disclosed
EP-3956346-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY Provincial Health Services Authority (CA) 2022-02-23 — — 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 (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-20250242064-A1 CXCR4-TARGETING COMPOUNDS, AND METHODS OF MAKING AND USING THE SAME CXCR4, CXCL12, ACKR3 MDM4 4337/4885TP53 1252/4885TLR2 1494/4885
US-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES CD2BP2, CD2, CD47 MDM4 1295/4885TP53 822/4885TLR2 2870/4885
US-20220218852-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY CXCR4, CXCR1, FPR1 MDM4 4011/4885TP53 2939/4885TLR2 440/4885
US-12616761-B2 CXCR4-targeting compounds CXCR4, CXCR2, CXCR3 MDM4 3817/4885TP53 1733/4885TLR2 489/4885
US-11629171-B2 Beta-hairpin peptidomimetics POLL, POLQ, HBZ MDM4 2103/4885TP53 222/4885TLR2 3053/4885
US-20230028880-A1 CD38-BINDING AGENTS AND USES THEREOF CD38, CD47, CD2 MDM4 1651/4885TP53 121/4885TLR2 858/4885

“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