SCHEMBL1821896

SCHEMBL1821896

NCC(=O)Nc1cc(OCc2ccccc2)ccc1S(=O)(=O)Nc1ccc2c(c1)B(O)OC2

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
CA4 P22748 2/20 0.45
KLK5 Q9Y337 2/20 0.44
KLK1 P06870 1/20 0.44

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
SCHEMBL1823297 0.93 CA12 (0.47) CA12CA1CA2CA9CA4
SCHEMBL1823683 0.92 CA12 (0.47) CA12CA1CA2CA9CA4
SCHEMBL1820827 0.90 CA12 (0.45) CA12CA1CA2CA9CA4
SCHEMBL1823807 0.89 CA12 (0.45) CA12CA1CA2CA9CA4
SCHEMBL2403781 0.87 CA12 (0.46) CA12CA1CA2CA9CA4
SCHEMBL12319356 0.87 CA1 (0.46) CA12CA1CA2CA9CA4
SCHEMBL1817885 0.86 KLK5 (0.48) CA12CA1CA2CA9KLK5
SCHEMBL1826376 0.84 CA1 (0.52) CA12CA1CA2CA9CA4
SCHEMBL1821548 0.83 CA12 (0.46) CA12CA1CA2CA9CA4
SCHEMBL1824930 0.82 CA1 (0.51) CA12CA1CA2CA9CA4

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 LTA4H 1742/4885CA12 564/4885CA1 4452/4885

“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.