SCHEMBL4270380

SCHEMBL4270380

CC(=O)N[C@@H](Cc1cccc(C(=O)O)c1)B(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 7/20 0.71
PSMB8 P28062 4/20 0.50
PSMB5 P28074 4/20 0.50
FOLH1 Q04609 4/20 0.50
ANPEP P15144 1/20 0.49
ENPEP Q07075 1/20 0.49

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
SCHEMBL29795262 1.00 CTRB1 (0.71) CTRB1PSMB8PSMB5FOLH1ANPEP
SCHEMBL4315518 1.00 CTRB1 (0.71) CTRB1PSMB8PSMB5FOLH1ANPEP
SCHEMBL14377905 1.00 CTRB1 (0.71) CTRB1PSMB8PSMB5FOLH1ANPEP
SCHEMBL3659451 0.85 PSMB5 (0.68) CTRB1PSMB8PSMB5FOLH1
SCHEMBL13846042 0.85 PSMB5 (0.68) CTRB1PSMB8PSMB5FOLH1
SCHEMBL8751758 0.84 CTRB1 (1.00) CTRB1PSMB8PSMB5
SCHEMBL7356960 0.84 CTRB1 (1.00) CTRB1PSMB8PSMB5
SCHEMBL10958274 0.84 CTRB1 (1.00) CTRB1PSMB8PSMB5
SCHEMBL15075917 0.83 CTRB1 (0.70) CTRB1PSMB8PSMB5
SCHEMBL29795284 0.83 CTRB1 (0.70) CTRB1PSMB8PSMB5

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114761413-B Carbapenem hydrolysis D-type beta-lactamase inhibitor and preparation method thereof 明知大学校产学协力团 2024-04-12 CN disclosed
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
CN-114761413-A Carbapenem hydrolysis D-type beta-lactamase inhibitor and preparation method thereof 明知大学校产学协力团 2022-07-15 CN disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-11058695-B2 Inhibitor of carbapenem-hydrolyzing class D beta-lactamases MYONGJI UNIVERSITY INDUSTRY AND ACADEMIA COOPERATION FOUNDATION (KR) 2021-07-13 US disclosed
US-20210137954-A1 INHIBITOR OF CARBAPENEM-HYDROLYZING CLASS D BETA-LACTAMASES MYONGJI UNIVERSITY INDUSTRY AND ACADEMIA COOPERATION FOUNDATION (KR) 2021-05-13 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20050124580-A1 Beta-lactamase inhibitors and methods of use thereof FULCRUM PHARMACEUTICALS, INC. (US) 2005-06-09 US disclosed
WO-2005041904-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-05-12 WO disclosed
US-20040005586-A1 Novel Artemis/DNA-dependent protein kinase complex and methods of use thereof NATIONAL INSTITUTES OF HEALTH 2004-01-08 US disclosed
US-6448238-B1 BORONIC ACIDS USED WITH BETA-LACTAM ANTIBIOTICS, SUCH AS AMOXICILLIN OR CEFTAZIDIME, TO TREAT BETA-LACTAM ANTIBIOTIC RESISTANT BACTERIAL INFECTIONS NORTHWESTERN UNIVERSITY 2002-09-10 US disclosed
US-6417174-B1 BACTERICIDES NORTHWESTERN UNIVERSITY 2002-07-09 US disclosed
US-6184363-B1 Inhibitors of β-lactamases and uses therefor NORTHWESTERN UNIVERSITY 2001-02-06 US disclosed
EP-1009415-A4 INHIBITORS OF $g(b)-LACTAMASES AND USES THEREFOR UNIV NORTHWESTERN (US) 2000-10-25 EP disclosed
EP-1009415-A1 INHIBITORS OF $g(b)-LACTAMASES AND USES THEREFOR NORTHWESTERN UNIVERSITY (US) 2000-06-21 EP disclosed
US-6075014-A BACTERICIDES NORTHWESTERN UNIVERSITY (US) 2000-06-13 US disclosed
WO-1998056392-A1 INHIBITORS OF β-LACTAMASES AND USES THEREFOR NORTHWESTERN UNIVERSITY (US) 1998-12-17 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 (3 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-11058695-B2 Inhibitor of carbapenem-hydrolyzing class D beta-lactamases MGAM, LCT, SI CTRB1 680/4885PSMB8 519/4885PSMB5 512/4885
US-20210137954-A1 INHIBITOR OF CARBAPENEM-HYDROLYZING CLASS D BETA-LACTAMASES MGAM, LCT, SI CTRB1 680/4885PSMB8 519/4885PSMB5 512/4885
US-20050124580-A1 Beta-lactamase inhibitors and methods of use thereof LCT, BCHE, GAA CTRB1 206/4885PSMB8 1057/4885PSMB5 350/4885

“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.