SCHEMBL595681

SCHEMBL595681

COc1ccc(Oc2ccc3c(c2)B(O)OC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.78
PDE4B Q07343 5/20 0.78
PDE4C Q08493 5/20 0.78
PDE4D Q08499 5/20 0.78
KLK1 P06870 1/20 0.65
KLK5 Q9Y337 1/20 0.65
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62

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
SCHEMBL5583340 1.00 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DKLK1
SCHEMBL1135194 0.91 CA1 (0.64) PDE4APDE4BPDE4CPDE4DKLK1
SCHEMBL3472792 0.90 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DKLK1
SCHEMBL2531139 0.88 PDE4B (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL13470651 0.88 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DKLK1
SCHEMBL595898 0.86 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DKLK1
SCHEMBL5583471 0.86 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DKLK1
SCHEMBL596054 0.85 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DKLK1
SCHEMBL3475067 0.85 KLK1 (0.69) PDE4APDE4BPDE4CPDE4DKLK1
SCHEMBL5583385 0.85 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DKLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343304-B1 Biocidal boronophthalide compounds ANACOR PHARMACEUTICALS INC (US) 2015-06-10 EP claimed
CN-101914109-B Boron-containing small molecules ANACOR PHARMACEUTICALS INC 2014-07-23 CN claimed
EP-2343304-A1 Biocidal boronophthalide compounds Anacor Pharmaceuticals, Inc. (US) 2011-07-13 EP claimed
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC (US) 2024-10-31 US disclosed
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2023-01-12 US disclosed
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2023-01-12 US disclosed
EP-3424932-B1 BORONOPHTHALIDES FOR THERAPEUTIC USE ANACOR PHARMACEUTICALS INC (US) 2021-04-07 EP disclosed
US-20210070780-A1 Boron-Containing Small Molecules ANACOR PHARMACEUTICALS, INC. (US) 2021-03-11 US disclosed
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2021-01-07 US disclosed
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2021-01-07 US disclosed
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-06-11 US disclosed
WO-2007146965-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE ANACOR PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2007-12-20 US disclosed
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2007-12-20 US disclosed
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2007-12-20 US disclosed
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease ANACOR PHARMACEUTICALS INC. (US) 2007-12-13 US disclosed
WO-2007095638-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2007-08-23 WO disclosed
WO-2007095638-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2007-08-23 WO disclosed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 WO disclosed
US-20060234981-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2006-10-19 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 (8 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-20060234981-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 PDE4A 4397/4885PDE4B 4444/4885PDE4C 4585/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 PDE4A 1049/4885PDE4B 1043/4885PDE4C 1262/4885
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PDE4A 1385/4885PDE4B 948/4885PDE4C 2189/4885
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PDE4A 1385/4885PDE4B 948/4885PDE4C 2189/4885
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PDE4A 1385/4885PDE4B 948/4885PDE4C 2189/4885
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF PDE4A 1336/4885PDE4B 1058/4885PDE4C 2209/4885
US-20210070780-A1 Boron-Containing Small Molecules ETF1, POLR1C, DPM1 PDE4A 4397/4885PDE4B 4444/4885PDE4C 4585/4885
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PDE4A 1385/4885PDE4B 948/4885PDE4C 2189/4885

“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.