SCHEMBL20315230

SCHEMBL20315230

CC(C)(C)OC(=O)Nc1nc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
AAK1 Q2M2I8 2/20 0.41
DGAT1 O75907 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
LIPG Q9Y5X9 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
CYP17A1 P05093 1/20 0.34
HIF1A Q16665 1/20 0.34
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
SCN3A Q9NY46 2/20 0.33
SCN4A P35499 1/20 0.33
USP30 Q70CQ3 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
SCHEMBL30489564 1.00 PRMT5 (0.44) PRMT5WDR77AAK1DGAT1HDAC3
SCHEMBL18340958 0.85 LIPG (0.40) DGAT1LIPGHIF1AGSK3BPDGFRB
SCHEMBL22290397 0.81 HDAC3 (0.52) PRMT5WDR77AAK1HDAC3HDAC1
SCHEMBL30489618 0.81 MEN1 (0.42) AAK1HDAC3HDAC1HDAC2HDAC10
SCHEMBL20974382 0.81 MEN1 (0.42) AAK1HDAC3HDAC1HDAC2HDAC10
SCHEMBL12517907 0.78 PRMT5 (0.43) PRMT5WDR77AAK1DGAT1CYP17A1
SCHEMBL29895473 0.77 PRMT5 (0.47) PRMT5WDR77AAK1HDAC3HDAC1
SCHEMBL1300326 0.77 PRMT5 (0.47) PRMT5WDR77AAK1HDAC3HDAC1
SCHEMBL22290629 0.74 HDAC3 (0.51) PRMT5WDR77HDAC3HDAC1HDAC2
SCHEMBL30315912 0.74 HDAC3 (0.51) PRMT5WDR77HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 EP disclosed
CN-107922394-B 3-tetrazolyl-benzene-1, 2-disulfonamide derivatives as metallo-beta-lactamase inhibitors 默沙东公司 2021-07-13 CN disclosed
EP-3313832-B1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2021-02-24 EP disclosed
EP-3313832-B1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2021-02-24 EP disclosed
US-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
US-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 US disclosed
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 US disclosed
US-10227331-B2 Metallo-β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-12 US disclosed
US-10221163-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-10221163-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-30 US disclosed
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS Marck Sharp & Dohme Corp. (US) 2018-06-28 US disclosed
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS Marck Sharp & Dohme Corp. (US) 2018-06-28 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 (6 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-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 PRMT5 795/4885WDR77 4208/4885AAK1 4488/4885
US-10221163-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 PRMT5 799/4885WDR77 4160/4885AAK1 4475/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 PRMT5 795/4885WDR77 4208/4885AAK1 4488/4885
US-10227331-B2 Metallo-β-lactamase inhibitors ALPI, GAA, ZFX PRMT5 958/4885WDR77 4106/4885AAK1 4644/4885
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS ALPI, GAA, ZFX PRMT5 959/4885WDR77 4115/4885AAK1 4659/4885
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 PRMT5 799/4885WDR77 4160/4885AAK1 4475/4885

“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.