SCHEMBL18991645

SCHEMBL18991645

CC(C)(C)OC(=O)NCCCn1cc(-c2ccc(OCC(O)C(=O)OC(C)(C)C)cc2Cl)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.38
▸ STK17A Q9UEE5 1/20 0.38
▸ DYRK1A Q13627 1/20 0.37
▸ PDK2 Q15119 1/20 0.36
▸ DRD2 P14416 4/20 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
▸ POLB P06746 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ SCD O00767 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 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

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
SCHEMBL18991647 1.00 STK17B (0.38) STK17BSTK17ADYRK1APDK2DRD2
SCHEMBL29359603 1.00 STK17B (0.38) STK17BSTK17ADYRK1APDK2DRD2
SCHEMBL18991477 0.93 STK17B (0.38) STK17BSTK17ADYRK1APDK2DRD2
SCHEMBL18991476 0.93 STK17B (0.38) STK17BSTK17ADYRK1APDK2DRD2
SCHEMBL29357839 0.90 FEN1 (0.41) DYRK1APDK2CA12CA1CA2
SCHEMBL19027482 0.87 CA12 (0.41) STK17BSTK17ADYRK1ADRD2CA12
SCHEMBL20565953 0.87 CA12 (0.41) STK17BSTK17ADYRK1ADRD2CA12
SCHEMBL20565954 0.87 CA12 (0.41) STK17BSTK17ADYRK1ADRD2CA12
SCHEMBL18991170 0.86 PDK2 (0.36) STK17BSTK17ADYRK1APDK2DRD2
SCHEMBL18991172 0.86 PDK2 (0.36) STK17BSTK17ADYRK1APDK2DRD2

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 8 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
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
EP-3390357-B1 BIARYL MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME (US) 2021-11-10 — — EP disclosed
US-20200361928-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2020-11-19 — — US disclosed
US-20180339983-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2018-11-29 — — US disclosed
EP-3390357-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS Merck Sharp & Dohme Corp. (US) 2018-10-24 — — EP disclosed
WO-2017106064-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2017-06-22 — — 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 (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-20180339983-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS BMX, BTK, ABCB11 STK17B 3400/4885STK17A 3144/4885DYRK1A 311/4885
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections SQLE, ABCB11, BMX STK17B 3640/4885STK17A 3491/4885DYRK1A 285/4885
US-20200361928-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS ABCB11, SQLE, BMX STK17B 3583/4885STK17A 3463/4885DYRK1A 290/4885

“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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