SCHEMBL1135261

SCHEMBL1135261

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)B(O)OC3)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.67
CA1 P00915 10/20 0.67
CA12 O43570 9/20 0.64
CA9 Q16790 9/20 0.64
CA4 P22748 6/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
FFAR4 Q5NUL3 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL1135227 0.89 CA1 (0.59) CA2CA1CA12CA9MEN1
SCHEMBL12317779 0.89 CA2 (0.53) CA2CA1CA12CA9MAPT
SCHEMBL1818818 0.86 CA1 (0.61) CA2CA1CA12CA9CA4
SCHEMBL1817488 0.86 CA1 (0.61) CA2CA1CA12CA9CA4
SCHEMBL1819227 0.86 CA1 (0.61) CA2CA1CA12CA9CA4
SCHEMBL13111190 0.85 CA1 (0.53) CA2CA1CA12CA9CA4
SCHEMBL3473383 0.85 CA1 (0.53) CA2CA1CA12CA9CA4
SCHEMBL1822892 0.85 CA1 (0.60) CA2CA1CA12CA9CA4
SCHEMBL1135310 0.85 CA1 (0.57) CA2CA1CA12CA9CA4
SCHEMBL3474408 0.84 CA1 (0.52) CA2CA1CA12CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285384-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2011-02-23 EP disclosed
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
WO-2009140309-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2009-11-19 WO disclosed
WO-2009140309-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2009-11-19 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-20100256092-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD CA2 1155/4885CA1 4452/4885CA12 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.