SCHEMBL20480002

SCHEMBL20480002

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
CTSS P25774 7/20 0.47
CTSK P43235 7/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
SYK P43405 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
CYP2D6 P10635 1/20 0.41
CAPN1 P07384 1/20 0.38
SERPINE1 P05121 1/20 0.38
ATM Q13315 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
SCHEMBL12274268 0.89 CA1 (0.51) KMT2AMEN1GAACTSSCTSK
SCHEMBL31304970 0.86 CTSK (0.49) KMT2AMEN1GAACTSSCTSK
SCHEMBL18342199 0.83 MEN1 (0.57) KMT2AMEN1GAACTSSCTSK
SCHEMBL24283984 0.83 CA1 (0.42) KMT2AMEN1GAACTSSCTSK
SCHEMBL556588 0.81 MEN1 (0.46) KMT2AMEN1GAACTSSCTSK
SCHEMBL9600202 0.81 MEN1 (0.46) KMT2AMEN1GAACTSSCTSK
SCHEMBL1457816 0.81 MEN1 (0.46) KMT2AMEN1GAACTSSCTSK
SCHEMBL15648325 0.81 CTSS (0.43) KMT2AMEN1GAACTSSCTSK
SCHEMBL15648327 0.81 CTSS (0.43) KMT2AMEN1GAACTSSCTSK
SCHEMBL3732945 0.80 CTSK (0.44) KMT2AMEN1GAACTSSCTSK

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 5 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

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 KMT2A 1095/4885MEN1 417/4885GAA 4/4885
US-10221163-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 KMT2A 1103/4885MEN1 433/4885GAA 4/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 KMT2A 1095/4885MEN1 417/4885GAA 4/4885
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 KMT2A 1103/4885MEN1 433/4885GAA 4/4885

“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.