SCHEMBL29357686

SCHEMBL29357686

CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)Cn1cnc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.38
AAK1 Q2M2I8 2/20 0.38
PCSK9 Q8NBP7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SYK P43405 1/20 0.35
SERPINE1 P05121 1/20 0.35
ALPL P05186 2/20 0.34
PLAA Q9Y263 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
ALPG P10696 1/20 0.33
BRD4 O60885 1/20 0.33
AR P10275 1/20 0.33
GFER P55789 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
HTT P42858 1/20 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
SCHEMBL29357176 0.83 SERPINE1 (0.38) CPB2AAK1PCSK9KDM4ELMNA
SCHEMBL29990322 0.81 CA12 (0.41) KDM4ELMNAALPLPLAAMEN1
SCHEMBL19027921 0.79 CA1 (0.44) CPB2MEN1GAAKMT2AGFER
SCHEMBL18991430 0.77 AAK1 (0.35) CPB2AAK1PCSK9KDM4ELMNA
SCHEMBL3122071 0.73 ALPL (0.46) KDM4EALPLPLAAKMT2AALPG
SCHEMBL6025129 0.70 NPC1 (0.35) AAK1MEN1GAAKMT2AL3MBTL1
SCHEMBL20566268 0.69 ALPL (0.34) ALPLPLAAALPGAR
SCHEMBL18991093 0.68 KDM4E (0.34) CPB2AAK1PCSK9KDM4ELMNA
SCHEMBL28251554 0.68 BRD4 (0.43) CPB2PCSK9SYKMEN1GAA
SCHEMBL29891907 0.67 HPGD (0.45) AAK1PCSK9KDM4ELMNASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3978472-B1 BIARYL MONABACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2024-10-16 EP disclosed
CN-108368040-B Diaryl monocyclic beta-lactam compounds and methods for their use in the treatment of bacterial infections 默沙东有限责任公司 2024-08-23 CN disclosed
EP-3978472-A1 BIARYL MONABACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2022-04-06 EP disclosed
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MERCK SHARP & DOHME CORP. (US) 2022-01-25 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 (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-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections SQLE, ABCB11, BMX CPB2 488/4885AAK1 2959/4885PCSK9 13/4885

“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.