SCHEMBL376608

SCHEMBL376608

N[C@@H]1C[C@@H](CO)N(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A12 P48065 2/20 0.30
SLC6A11 P48066 2/20 0.30
SLC6A13 Q9NSD5 2/20 0.30

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
SCHEMBL21111019 1.00 MMP2 (0.36) MMP2ANPEPPOLBL3MBTL1SLC6A12
SCHEMBL26615005 1.00 MMP2 (0.36) MMP2ANPEPPOLBL3MBTL1SLC6A12
Hydrochloric Acid SCHEMBL21682304 0.98 MMP2 (0.35) MMP2ANPEPPOLBL3MBTL1SLC6A12
Hydrochloric Acid SCHEMBL15265472 0.98 MMP2 (0.35) MMP2ANPEPPOLBL3MBTL1SLC6A12
SCHEMBL13288149 0.84 MMP2 (0.36) MMP2ANPEPSLC6A12SLC6A11SLC6A13
SCHEMBL21110975 0.82 MMP2 (0.35) MMP2ANPEP
SCHEMBL22557213 0.82 MMP2 (0.35) MMP2ANPEP
SCHEMBL4368534 0.82 MMP2 (0.50) MMP2ANPEPPOLBL3MBTL1
SCHEMBL30476580 0.82 MMP2 (0.50) MMP2ANPEPPOLBL3MBTL1
SCHEMBL22556879 0.82 MMP2 (0.35) MMP2ANPEP

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
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-11020398-B2 Amino-pyrrolopyrimidinone compounds and methods of use thereof ARQULE, INC. (US) 2021-06-01 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-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
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. 2018-03-01 US disclosed
US-8518952-B2 6 substituted 2-heterocyclylamino pyrazine compounds as CHK-1 inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
EP-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 EP disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 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 (7 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 MMP2 41/4885ANPEP 540/4885POLB 1974/4885
US-11020398-B2 Amino-pyrrolopyrimidinone compounds and methods of use thereof BTK, SYK, LCK MMP2 3914/4885ANPEP 1881/4885POLB 1689/4885
US-10221163-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 MMP2 37/4885ANPEP 587/4885POLB 1762/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 MMP2 41/4885ANPEP 540/4885POLB 1974/4885
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 MMP2 37/4885ANPEP 587/4885POLB 1762/4885
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS CHKA, CSNK1A1, CHKB MMP2 3130/4885ANPEP 1821/4885POLB 4595/4885
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF BTK, SYK, LCK MMP2 3914/4885ANPEP 1881/4885POLB 1689/4885

“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.