SCHEMBL30449581

SCHEMBL30449581

COC(=O)[C@@H]1CC=C[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.48
NFKB2 Q00653 4/20 0.48
RELA Q04206 4/20 0.48
BTK Q06187 1/20 0.40
KDM1A O60341 2/20 0.35
GAA P10253 2/20 0.34
MAOB P27338 1/20 0.34
EPHX2 P34913 1/20 0.33
EPHX1 P07099 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTSK P43235 2/20 0.33

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
SCHEMBL14089803 0.87 BTK (0.51) NFKB1NFKB2RELABTKKDM1A
SCHEMBL25225626 0.87 BTK (0.51) NFKB1NFKB2RELABTKKDM1A
SCHEMBL25648879 0.87 NFKB1 (0.49) NFKB1NFKB2RELABTKKDM1A
SCHEMBL25423563 0.87 BTK (0.51) NFKB1NFKB2RELABTKKDM1A
SCHEMBL28572940 0.78 NFKB1 (0.51) NFKB1NFKB2RELABTKKDM1A
SCHEMBL31454795 0.78 NFKB1 (0.51) NFKB1NFKB2RELABTKKDM1A
SCHEMBL2134159 0.78 NFKB1 (0.51) NFKB1NFKB2RELABTKKDM1A
SCHEMBL12951314 0.78 NFKB1 (0.51) NFKB1NFKB2RELABTKKDM1A
SCHEMBL2134157 0.78 NFKB1 (0.51) NFKB1NFKB2RELABTKKDM1A
SCHEMBL13334908 0.78 NFKB1 (0.51) NFKB1NFKB2RELABTKKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4634184-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING KINASES VIA UBIQUITIN PROTEOSOME PATHWAY Crossfire Oncology Holding B.V. (NL) 2025-10-22 EP disclosed
US-20250074911-A1 MACROCYCLIC BTK INHIBITORS CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2025-03-06 US disclosed
WO-2024256568-A1 SALT AND CRYSTAL FORMS OF A MACROCYCLIC BTK INHIBITOR CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2024-12-19 WO disclosed
WO-2024245578-A1 THERAPEUTIC COMBINATIONS OF AN IRREVERSIBLE BTK INHIBITOR AND A MACROCYCLIC REVERSIBLE BTK INHIBITOR NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V. (NL) 2024-12-05 WO disclosed
WO-2024246287-A1 MEDICAL USE OF A MACROCYCLIC REVERSIBLE BTK INHIBITOR CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2024-12-05 WO disclosed
EP-4448521-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS Crossfire Oncology Holding B.V. (NL) 2024-10-23 EP disclosed
EP-4448523-A1 MACROCYCLIC BTK INHIBITORS Crossfire Oncology Holding B.V. (NL) 2024-10-23 EP disclosed
CN-118696041-A Macrocyclic BTK inhibitors 克罗斯费尔肿瘤学控股有限公司 2024-09-24 CN disclosed
WO-2024126617-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING KINASES VIA UBIQUITIN PROTEOSOME PATHWAY CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2024-06-20 WO disclosed
WO-2023110970-A1 MACROCYCLIC BTK INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 WO disclosed
WO-2023110936-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 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 (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-20250074911-A1 MACROCYCLIC BTK INHIBITORS BTK, LYN, LCK NFKB1 996/4885NFKB2 1010/4885RELA 1175/4885

“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.