SCHEMBL3473087

SCHEMBL3473087

N#Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)B(O)OC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
SLC22A12 Q96S37 2/20 0.54
CA1 P00915 8/20 0.50
CA2 P00918 8/20 0.50
CA12 O43570 7/20 0.50
CA9 Q16790 7/20 0.50
HSPD1 P10809 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN5 P54829 1/20 0.47
HSPE1 P61604 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
CA4 P22748 4/20 0.47
BRD1 O95696 1/20 0.47
BRPF1 P55201 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47

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
SCHEMBL13111157 0.87 KMT2A (0.61) KMT2ASLC22A12HSPD1PTPN2PTPN1
SCHEMBL2190831 0.86 CA1 (0.51) KMT2ACA1CA2CA12CA9
SCHEMBL3475106 0.84 CA1 (0.54) CA1CA2CA12CA9CA4
SCHEMBL13428519 0.83 CA1 (0.51) CA1CA2CA12CA9CA4
SCHEMBL3425356 0.83 CA1 (0.53) KMT2ASLC22A12CA1CA2CA12
SCHEMBL3423045 0.83 CA1 (0.53) CA1CA2CA12CA9CA4
SCHEMBL3474682 0.83 CA1 (0.53) CA1CA2CA12CA9CA4
SCHEMBL1821713 0.83 CA1 (0.57) KMT2ACA1CA2CA12CA9
SCHEMBL2402318 0.82 PDE4B (0.47) KMT2ASLC22A12PDE4APDE4BPDE4C
SCHEMBL1822672 0.81 CA1 (0.42) KMT2ACA1CA2CA12CA9

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 KMT2A 1841/4885SLC22A12 384/4885CA1 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.