SCHEMBL1826933

SCHEMBL1826933

O=C(Nc1cnc(S(=O)(=O)Nc2ccc3c(c2)B(O)OC3)c(Nc2cnccn2)c1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
CA4 P22748 1/20 0.46
ROCK2 O75116 1/20 0.41
NAMPT P43490 1/20 0.38

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
SCHEMBL1825453 0.90 CA1 (0.48) CA1CA2CA12CA9CA4
SCHEMBL1820846 0.87 CA1 (0.49) CA1CA2CA12CA9CA4
SCHEMBL1826095 0.86 CA1 (0.44) CA1CA2CA12CA9CA4
SCHEMBL1823718 0.86 CA1 (0.43) CA1CA2CA12CA9CA4
SCHEMBL1817208 0.84 CA1 (0.51) CA1CA2CA12CA9CA4
SCHEMBL1822932 0.84 CA1 (0.49) CA1CA2CA12CA9CA4
SCHEMBL1822023 0.80 CA1 (0.39) CA1CA2CA12CA9CA4
SCHEMBL1825741 0.78 CA12 (0.44) CA1CA2CA12CA9CA4
SCHEMBL1824656 0.78 CA12 (0.42) CA1CA2CA12CA9CA4
SCHEMBL2407071 0.75 CA1 (0.53) CA1CA2CA12CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011060199-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 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 (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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD CA1 4452/4885CA2 1155/4885CA12 564/4885

“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.