SCHEMBL20974334

SCHEMBL20974334

CC(C)(C)OC(=O)NCCNc1cccc(Br)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.47
BCHE P06276 1/20 0.46
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
CA1 P00915 8/20 0.43
CA2 P00918 8/20 0.43
CA12 O43570 5/20 0.43
CA9 Q16790 5/20 0.43
BRD4 O60885 1/20 0.42
NQO2 P16083 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
SUV39H2 Q9H5I1 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
IDO1 P14902 1/20 0.39

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
SCHEMBL25470877 0.87 MALT1 (0.54) MALT1BCHEDDB1CRBNCA1
SCHEMBL29655427 0.81 MALT1 (0.54) MALT1BCHEDDB1CRBNCA1
SCHEMBL2975056 0.81 MALT1 (0.54) MALT1BCHEDDB1CRBNCA1
SCHEMBL20974588 0.81 AURKB (0.43) CA1CA2CA12CA9MEN1
SCHEMBL20974285 0.81 MALT1 (0.44) MALT1BCHEDDB1CRBNCA1
SCHEMBL23848043 0.80 MALT1 (0.47) MALT1BCHEDDB1CRBNBRD4
SCHEMBL18342223 0.79 CA12 (0.40) CA1CA2CA12CA9MEN1
SCHEMBL19451512 0.79 BRD4 (0.47) CA1CA2CA12CA9BRD4
SCHEMBL29908813 0.78 BCHE (0.49) MALT1BCHEDDB1CRBNCA1
SCHEMBL29075894 0.77 RIPK1 (0.45) CA1CA2CA12CA9NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MALT1 285/4885BCHE 160/4885DDB1 3604/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 MALT1 285/4885BCHE 160/4885DDB1 3604/4885

“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.