SCHEMBL1823952

SCHEMBL1823952

COc1ccc(S(=O)(=O)Nc2ccc3c(c2)B(O)OC3)cc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.54
CA1 P00915 6/20 0.51
CA2 P00918 6/20 0.51
CA12 O43570 4/20 0.51
CA9 Q16790 4/20 0.51
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.48
THRB P10828 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
USP2 O75604 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
KIT P10721 1/20 0.45
CA4 P22748 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
SCHEMBL1844353 0.92 LMNA (0.54) LMNACA1CA2CA12CA9
SCHEMBL2409586 0.90 LMNA (0.61) LMNACA1CA2CA12CA9
SCHEMBL1824395 0.88 MAPT (0.55) LMNACA1CA2CA12CA9
SCHEMBL3422237 0.87 GFER (0.53) LMNACA1CA2CA12CA9
SCHEMBL2404524 0.85 CA1 (0.50) CA1CA2CA12CA9CA4
SCHEMBL1822338 0.84 CA1 (0.49) CA1CA2CA12CA9CA4
SCHEMBL2404339 0.84 CA1 (0.63) LMNACA1CA2CA12CA9
SCHEMBL1827138 0.83 CA1 (0.50) CA1CA2CA12CA9CA4
SCHEMBL3421164 0.82 CA12 (0.64) LMNACA1CA2CA12CA9
SCHEMBL1821661 0.81 CA1 (0.50) CA1CA2CA12CA9ALDH1A1

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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
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
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 LMNA 3490/4885CA1 4452/4885CA2 1155/4885

“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.