SCHEMBL453500

SCHEMBL453500

CCOc1ccc(Br)c2c1B(O)O[C@@H]2CN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 4/20 1.00

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
SCHEMBL469460 1.00 LARS1 (1.00) LARS1
Hydrochloric Acid SCHEMBL2679371 0.99 LARS1 (0.97) LARS1
Hydrochloric Acid SCHEMBL2679368 0.99 LARS1 (0.97) LARS1
Trifluoroacetic Acid SCHEMBL460911 0.90 LARS1 (0.81) LARS1
SCHEMBL19017152 0.86 LARS1 (1.00) LARS1
SCHEMBL18023954 0.86 LARS1 (0.75) LARS1
SCHEMBL18023945 0.86 LARS1 (0.75) LARS1
SCHEMBL5019539 0.85 LARS1 (0.74) LARS1
SCHEMBL18023971 0.85 LARS1 (0.74) LARS1
SCHEMBL18023942 0.85 LARS1 (0.74) LARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11214582-B2 4-substituted benzoxaborole compounds and uses thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2022-01-04 US disclosed
US-11008345-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
US-11008345-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
CN-108610356-B Benzoxaborole derivatives for the treatment of bacterial infections 阿纳科制药公司 2021-02-26 CN disclosed
US-20210053999-A1 Tricyclic Benzoxaborole Compounds and Uses Thereof GLAXOSMITHKLINE IP NO 2 LTD (GB) 2021-02-25 US disclosed
US-20210053996-A1 4-Substituted Benzoxaborole Compounds and Uses Thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-02-25 US disclosed
US-10858376-B2 Tricyclic benzoxaborole compounds and uses thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2020-12-08 US disclosed
US-10774096-B2 4-substituted benzoxaborole compounds and uses thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2020-09-15 US disclosed
EP-3256479-B1 4 -SUBSTITUTED BENZOXABOROLE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-29 EP disclosed
US-20190345173-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2019-11-14 US disclosed
US-20150080342-A1 BENZOXABOROLE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2015-03-19 US disclosed
WO-2015021396-A2 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-02-12 WO disclosed
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
WO-2013154759-A1 BENZOXABOROLE COMPOUNDS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2013-10-17 WO disclosed
EP-2613788-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2013-07-17 EP disclosed
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2012033858-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-03-15 WO disclosed
WO-2012033858-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-03-15 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 (10 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-20210053996-A1 4-Substituted Benzoxaborole Compounds and Uses Thereof BRI3BP, CBR3, CYCS LARS1 3148/4885
US-20210053999-A1 Tricyclic Benzoxaborole Compounds and Uses Thereof CBX2, BRD4, BRD3 LARS1 2446/4885
US-11008345-B2 Boron-containing small molecules BCL6B, BTD, BROX LARS1 2597/4885
US-20150080342-A1 BENZOXABOROLE COMPOUNDS AND USES THEREOF NSUN3, BCAT2, FARSB LARS1 57/4885
US-11214582-B2 4-substituted benzoxaborole compounds and uses thereof BRI3BP, CBR3, CYCS LARS1 3148/4885
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX LARS1 2597/4885
US-10774096-B2 4-substituted benzoxaborole compounds and uses thereof BRD4, BRD3, CBR3 LARS1 2779/4885
US-10858376-B2 Tricyclic benzoxaborole compounds and uses thereof CBX2, BRD4, BRD3 LARS1 2446/4885
US-20190345173-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX LARS1 2597/4885
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX LARS1 2597/4885

“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.