SCHEMBL29357839

SCHEMBL29357839

CC(C)(C)OC(=O)NCCCn1cc(-c2ccc(OC[C@@H](O)C(=O)OC(C)(C)C)cc2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 4/20 0.41
▸ ALOX5AP P20292 3/20 0.41
▸ PDK2 Q15119 2/20 0.38
▸ DYRK1A Q13627 1/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ CA12 O43570 4/20 0.35
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ ITK Q08881 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ PRKCB P05771 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ LYN P07948 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34

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
SCHEMBL18991107 0.93 ALOX5AP (0.41) FEN1ALOX5APPDK2DYRK1ASCN9A
SCHEMBL18991109 0.93 ALOX5AP (0.41) FEN1ALOX5APPDK2DYRK1ASCN9A
SCHEMBL18991647 0.90 STK17B (0.38) FEN1ALOX5APPDK2DYRK1ACA12
SCHEMBL18991645 0.90 STK17B (0.38) FEN1ALOX5APPDK2DYRK1ACA12
SCHEMBL29359603 0.90 STK17B (0.38) FEN1ALOX5APPDK2DYRK1ACA12
SCHEMBL19027482 0.87 CA12 (0.41) DYRK1ACA12CA1CA2CA9
SCHEMBL20565954 0.87 CA12 (0.41) DYRK1ACA12CA1CA2CA9
SCHEMBL20565953 0.87 CA12 (0.41) DYRK1ACA12CA1CA2CA9
SCHEMBL29360202 0.86 FEN1 (0.40) FEN1ALOX5APPDK2DYRK1ASCN9A
SCHEMBL18991477 0.84 STK17B (0.38) FEN1ALOX5APPDK2DYRK1ACA12

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 FEN1 3713/4885ALOX5AP 1208/4885PDK2 4062/4885

“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.

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