Sugi Predict

Sugi Predict / Compounds / SCHEMBL11088522

SCHEMBL11088522

SCHEMBL11088522

CC(C)(C)OC(=O)NCC(COS(C)(=O)=O)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.47
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CTSK P43235 8/20 0.38
▸ CTSS P25774 5/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ SERPINE1 P05121 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL18341144 1.00 SYK (0.47) SYKCA1CA2CA7ATM
SCHEMBL18340793 1.00 SYK (0.47) SYKCA1CA2CA7ATM
SCHEMBL2013068 0.89 CA1 (0.44) SYKCA1CA2CA7ATM
SCHEMBL24257163 0.88 SYK (0.46) SYKCA1CA2CTSKCTSS
SCHEMBL4852013 0.86 MEN1 (0.46) SYKCA1CA2CA7CTSK
SCHEMBL4852021 0.86 MEN1 (0.46) SYKCA1CA2CA7CTSK
SCHEMBL4852002 0.86 MEN1 (0.46) SYKCA1CA2CA7CTSK
SCHEMBL5115701 0.85 SYK (0.43) SYKCA1CA2CA7ATM
SCHEMBL14910269 0.85 SYK (0.43) SYKCA1CA2CA7ATM
SCHEMBL8230634 0.85 SYK (0.43) SYKCA1CA2CA7ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3654968-B1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-08-16 — — EP disclosed
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 — — EP disclosed
US-11207312-B2 Metallo-beta-lactamase inhibitors and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2021-12-28 — — US 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-20200281913-A1 Metallo-Beta-Lactamase Inhibitors and Methods of Use Thereof MERCK SHARP & DOHME CORP. (US) 2020-09-10 — — US disclosed
EP-3654968-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF Merck Sharp & Dohme Corp. (US) 2020-05-27 — — 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-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
WO-2019018186-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2019-01-24 — — WO 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
EP-3313828-A1 METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-05-02 — — EP 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
WO-2016210234-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 — — WO disclosed
US-4463173-A ANTIBIOTIC, BACTERICIDE ICI PHARMA (FR) 1984-07-31 — — US disclosed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 — — EP disclosed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 — — EP 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 (8 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 SYK 784/4885CA1 606/4885CA2 288/4885
US-20200281913-A1 Metallo-Beta-Lactamase Inhibitors and Methods of Use Thereof MLX, MMP12, SLC11A2 SYK 839/4885CA1 431/4885CA2 279/4885
US-10221163-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 SYK 703/4885CA1 572/4885CA2 272/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 SYK 784/4885CA1 606/4885CA2 288/4885
US-10227331-B2 Metallo-β-lactamase inhibitors ALPI, GAA, ZFX SYK 680/4885CA1 500/4885CA2 197/4885
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS ALPI, GAA, ZFX SYK 683/4885CA1 457/4885CA2 186/4885
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 SYK 703/4885CA1 572/4885CA2 272/4885
US-11207312-B2 Metallo-beta-lactamase inhibitors and methods of use thereof MLX, MMP12, SLC11A2 SYK 839/4885CA1 431/4885CA2 279/4885

“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.