SCHEMBL18342199

SCHEMBL18342199

CC(CCNC(=O)OC(C)(C)C)NC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.47
CTSK P43235 8/20 0.43
CTSS P25774 7/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
EPHX1 P07099 1/20 0.40
KCNA5 P22460 1/20 0.39
CYP2D6 P10635 1/20 0.39
MALT1 Q9UDY8 1/20 0.38

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
SCHEMBL13055386 0.90 MEN1 (0.56) MEN1GAAKMT2ATDP1CTSK
SCHEMBL31040427 0.87 KMT2A (0.49) MEN1GAAKMT2ATDP1CTSK
SCHEMBL26104646 0.85 CA1 (0.45) MEN1GAAKMT2ACTSKCTSS
SCHEMBL22957514 0.84 MEN1 (0.50) MEN1GAAKMT2ATDP1CTSK
SCHEMBL20480002 0.83 KMT2A (0.47) MEN1GAAKMT2ATDP1CTSK
SCHEMBL18463269 0.83 MEN1 (0.56) MEN1GAAKMT2ATDP1CTSK
SCHEMBL20209500 0.82 MEN1 (0.59) MEN1GAAKMT2ATDP1CTSK
SCHEMBL25353973 0.81 MEN1 (0.44) MEN1GAAKMT2ATDP1CTSK
SCHEMBL31040388 0.81 MEN1 (0.59) MEN1GAAKMT2ATDP1CTSK
SCHEMBL26498427 0.81 MEN1 (0.58) MEN1GAAKMT2ATDP1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 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
EP-3313832-A1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-05-02 EP disclosed
WO-2016210215-A1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 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 (4 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 MEN1 417/4885GAA 4/4885KMT2A 1095/4885
US-10221163-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 MEN1 433/4885GAA 4/4885KMT2A 1103/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 MEN1 417/4885GAA 4/4885KMT2A 1095/4885
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 MEN1 433/4885GAA 4/4885KMT2A 1103/4885

“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.