Sugi Predict

Sugi Predict / Compounds / Benzoxaborole

Benzoxaborole

Benzoxaborole

SCHEMBL595394

OB1OCc2ccccc21.OB1OCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 8/20 1.00
▸ CA2 P00918 8/20 1.00
▸ CA12 O43570 6/20 0.64
▸ CA9 Q16790 6/20 0.64
▸ PDE3A Q14432 1/20 0.55
▸ PDE4A P27815 1/20 0.54
▸ PDE4B Q07343 1/20 0.54
▸ PDE4C Q08493 1/20 0.54
▸ PDE4D Q08499 1/20 0.54
▸ CA4 P22748 1/20 0.50
▸ ORAI1 Q96D31 1/20 0.46
▸ ORAI2 Q96SN7 1/20 0.46
▸ ORAI3 Q9BRQ5 1/20 0.46

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
Benzoxaborole SCHEMBL29361650 1.00 CA1 (1.00) CA1CA2CA12CA9PDE3A
Benzoxaborole SCHEMBL461112 1.00 CA1 (1.00) CA1CA2CA12CA9PDE3A
Benzoxaborole SCHEMBL27852566 0.98 CA1 (0.96) CA1CA2CA12CA9PDE3A
Benzoxaborole SCHEMBL19638740 0.98 CA1 (0.96) CA1CA2CA12CA9PDE3A
Benzoxaborole SCHEMBL31016072 0.90 CA1 (0.81) CA1CA2CA12CA9PDE3A
Benzoxaborole SCHEMBL28181365 0.82 CA1 (0.67) CA1CA2CA12CA9PDE3A
Benzoxaborin SCHEMBL257591 0.78 CA1 (1.00) CA1CA2CA12CA9PDE3A
SCHEMBL10268390 0.75 CA1 (0.60) CA1CA2CA12CA9PDE3A
SCHEMBL20919996 0.75 CA1 (0.79) CA1CA2CA12CA9PDE3A
SCHEMBL13830610 0.75 PDE4A (0.60) CA1CA2CA12CA9PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066787-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2017-03-09 — — US disclosed
US-8115026-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2012-02-14 — — US disclosed
US-20100267981-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-21 — — US disclosed
EP-2044091-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE Anacor Pharmaceuticals, Inc. (US) 2009-04-08 — — EP disclosed
EP-1976536-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2008-10-08 — — EP disclosed
WO-2007146965-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE ANACOR PHARMACEUTICALS, INC. (US) 2007-12-21 — — WO disclosed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 — — WO disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 — — 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 (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-20170066787-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885CA12 992/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885CA12 992/4885
US-20100267981-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CA1 4091/4885CA2 1368/4885CA12 992/4885

“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.