SCHEMBL3475977

SCHEMBL3475977

O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2c(c1)B(O)OC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CA1 P00915 10/20 0.52
CA2 P00918 10/20 0.52
CA12 O43570 8/20 0.51
CA9 Q16790 8/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PKM P14618 1/20 0.49
HSPD1 P10809 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN5 P54829 1/20 0.48
HSPE1 P61604 1/20 0.48
CA4 P22748 4/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
AR P10275 1/20 0.45

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
SCHEMBL1822241 0.87 CA1 (0.50) GAASMN1; SMN2CA1CA2CA12
SCHEMBL1818818 0.87 CA1 (0.61) GAASMN1; SMN2CA1CA2CA12
SCHEMBL3423045 0.84 CA1 (0.53) CA1CA2CA12CA9CA4
SCHEMBL1817917 0.84 CA1 (0.51) GAASMN1; SMN2CA1CA2CA12
SCHEMBL1821661 0.83 CA1 (0.50) GAACA1CA2CA12CA9
SCHEMBL3475106 0.83 CA1 (0.54) CA1CA2CA12CA9CA4
SCHEMBL1818473 0.82 AR (0.56) CA1CA2CA12CA9AR
SCHEMBL3425356 0.82 CA1 (0.53) CA1CA2CA12CA9CA4
SCHEMBL3474682 0.82 CA1 (0.53) CA1CA2CA12CA9CA4
SCHEMBL1135261 0.81 CA2 (0.67) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 GAA 536/4885SMN1; SMN2 4069/4885CA1 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.