SCHEMBL1817488

SCHEMBL1817488

Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)B(O)OC2

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.61
CA2 P00918 13/20 0.61
CA12 O43570 10/20 0.61
CA9 Q16790 10/20 0.61
CA4 P22748 6/20 0.46
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
IDH1 O75874 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
SCHEMBL1818818 0.90 CA1 (0.61) CA1CA2CA12CA9CA4
SCHEMBL1819227 0.90 CA1 (0.61) CA1CA2CA12CA9CA4
SCHEMBL1822892 0.89 CA1 (0.60) CA1CA2CA12CA9CA4
SCHEMBL1814769 0.88 CA1 (0.57) CA1CA2CA12CA9CA4
SCHEMBL1821713 0.86 CA1 (0.57) CA1CA2CA12CA9CA4
SCHEMBL1135261 0.86 CA2 (0.67) CA1CA2CA12CA9CA4
SCHEMBL1827629 0.85 CA1 (0.53) CA1CA2CA12CA9CA4
SCHEMBL2403947 0.84 CA1 (0.51) CA1CA2CA12CA9CA4
SCHEMBL1820664 0.83 CA1 (0.56) CA1CA2CA12CA9CA4
SCHEMBL1135227 0.82 CA1 (0.59) CA1CA2CA12CA9GAA

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-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2011060196-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-20110172187-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.