SCHEMBL2024931

SCHEMBL2024931

COc1cc(CO)c(Br)c(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.49
CA1 P00915 8/20 0.49
CA4 P22748 7/20 0.49
CA6 P23280 6/20 0.49
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
HSP90AA1 P07900 6/20 0.45
PTPN1 P18031 1/20 0.44
HSP90AB1 P08238 5/20 0.43
TSHR P16473 1/20 0.42
APOBEC3A P31941 1/20 0.42
HTT P42858 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL14954350 0.89 CA2 (0.62) CA2CA1CA4CA6PDE4A
SCHEMBL3392835 0.85 CA1 (0.45) CA2CA1CA4CA6HSP90AA1
SCHEMBL3155413 0.85 CA2 (0.57) CA2CA1CA4CA6PDE4A
SCHEMBL18480665 0.82 CA1 (0.50) CA2CA1CA4CA6HSP90AA1
SCHEMBL5534604 0.82 PDE4A (0.52) CA2CA1CA4CA6PDE4A
SCHEMBL28312125 0.82 PDE4A (0.52) CA2CA1CA4CA6PDE4A
SCHEMBL29256827 0.81 PDE4A (0.41) CA2CA1CA4CA6PDE4A
SCHEMBL147850 0.81 CA2 (0.47) CA2CA1CA4CA6PDE4A
SCHEMBL30829272 0.81 CA2 (0.47) CA2CA1CA4CA6PDE4A
SCHEMBL4270114 0.81 HSP90AA1 (0.49) CA2CA1CA4CA6HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343944-B2 Trisubstituted boron-containing molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
EP-2458995-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES Anacor Pharmaceuticals, Inc. (US) 2012-06-06 EP disclosed
US-20110136763-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-06-09 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 (1 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-20110136763-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES BCL6B, BCL6, BLK CA2 1357/4885CA1 4115/4885CA4 186/4885

“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.