SCHEMBL29358317

SCHEMBL29358317

CC(C)(C)OC(=O)NCCCNc1ccc(-c2ccc(OC[C@@H](O)C(=O)OC(C)(C)C)cc2)nn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SUCNR1 Q9BXA5 9/20 0.43
▸ CA12 O43570 5/20 0.42
▸ CA1 P00915 5/20 0.42
▸ CA2 P00918 5/20 0.42
▸ CA9 Q16790 5/20 0.42
▸ STK17B O94768 1/20 0.40
▸ STK17A Q9UEE5 1/20 0.40
▸ TTK P33981 1/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL18990569 0.93 SUCNR1 (0.47) SUCNR1CA12CA1CA2CA9
SCHEMBL18990566 0.93 SUCNR1 (0.47) SUCNR1CA12CA1CA2CA9
SCHEMBL29357633 0.82 SUCNR1 (0.39) SUCNR1CA12CA1CA2CA9
SCHEMBL18991579 0.79 SUCNR1 (0.42) SUCNR1CA12CA1CA2CA9
SCHEMBL18991582 0.79 SUCNR1 (0.42) SUCNR1CA12CA1CA2CA9
SCHEMBL19027922 0.78 CA12 (0.43) SUCNR1CA12CA1CA2CA9
SCHEMBL29357190 0.77 AAK1 (0.45) CA12CA1CA2CA9
SCHEMBL18990470 0.76 CA12 (0.43) SUCNR1CA12CA1CA2CA9
SCHEMBL18990469 0.76 CA12 (0.43) SUCNR1CA12CA1CA2CA9
SCHEMBL17155339 0.75 AAK1 (0.44) CA12CA1CA2CA9STK17B

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 SUCNR1 2659/4885CA12 1543/4885CA1 4211/4885

“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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