SCHEMBL20566580

SCHEMBL20566580

CC(C)(C)OC(=O)NCCCn1cc(-c2ccc(OC[C@@H](O)C(=O)O)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SUCNR1 Q9BXA5 10/20 0.42
▸ CA12 O43570 5/20 0.41
▸ CA1 P00915 5/20 0.41
▸ CA2 P00918 5/20 0.41
▸ CA9 Q16790 5/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ GSK3B P49841 1/20 0.37

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
SCHEMBL20566583 1.00 SUCNR1 (0.42) SUCNR1CA12CA1CA2CA9
SCHEMBL20565953 0.93 CA12 (0.41) SUCNR1CA12CA1CA2CA9
SCHEMBL19027482 0.93 CA12 (0.41) SUCNR1CA12CA1CA2CA9
SCHEMBL20565954 0.93 CA12 (0.41) SUCNR1CA12CA1CA2CA9
SCHEMBL18991109 0.87 ALOX5AP (0.41) SUCNR1CA12CA1CA2CA9
SCHEMBL18991476 0.87 STK17B (0.38) SUCNR1CA12CA1CA2CA9
SCHEMBL18991107 0.87 ALOX5AP (0.41) SUCNR1CA12CA1CA2CA9
SCHEMBL18991477 0.87 STK17B (0.38) SUCNR1CA12CA1CA2CA9
SCHEMBL23827406 0.87 SCD (0.41) SUCNR1CA12CA1CA2CA9
SCHEMBL23827404 0.87 SCD (0.41) SUCNR1CA12CA1CA2CA9

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
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

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 SUCNR1 2417/4885CA12 1831/4885CA1 4321/4885
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections SQLE, ABCB11, BMX SUCNR1 2659/4885CA12 1543/4885CA1 4211/4885
US-20200361928-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS ABCB11, SQLE, BMX SUCNR1 2712/4885CA12 1428/4885CA1 4160/4885

“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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