SCHEMBL2551857

SCHEMBL2551857

C[C@@H](CCO)N(C(=O)O)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRG1 Q8N1C3 2/20 0.31
GABRG3 Q99928 2/20 0.31
GABRQ Q9UN88 2/20 0.31

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
SCHEMBL19136540 1.00 GABRP (0.31) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1980598 1.00 GABRP (0.31) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL80655 0.83
SCHEMBL1806245 0.83
SCHEMBL1806242 0.83
SCHEMBL78956 0.82 GABRR1 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4301630 0.82
SCHEMBL80779 0.82 GABRR1 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1028103 0.82 GABRR1 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4292509 0.80

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 11 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
EP-2782903-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN F.HOFFMANN-LA ROCHE AG (CH) 2014-10-01 EP disclosed
WO-2013076063-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN F. HOFFMANN-LA ROCHE AG (CH) 2013-05-30 WO disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 US disclosed
US-20090227616-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION, A CORPORATION 2009-09-10 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-20090227616-A1 INHIBITORS OF AKT ACTIVITY PI4KB, PIK3CA, AKT2 GABRP 3495/4885GABRD 4639/4885GABRA1 4594/4885
US-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 GABRP 2554/4885GABRD 2998/4885GABRA1 2877/4885
US-10221163-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 GABRP 2467/4885GABRD 2938/4885GABRA1 2852/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 GABRP 2554/4885GABRD 2998/4885GABRA1 2877/4885
US-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB GABRP 3518/4885GABRD 2465/4885GABRA1 3138/4885
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 GABRP 2467/4885GABRD 2938/4885GABRA1 2852/4885

“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.