SCHEMBL1823910

SCHEMBL1823910

CCOC(=O)Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc2c(cc1F)COB2O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 3/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
SLC5A1 P13866 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL1820499 0.87 CA1 (0.38) CA1CA2CA12CA9PDE4A
SCHEMBL1825282 0.83 CA1 (0.54) CA1CA2CA12CA9ALDH1A1
SCHEMBL1820030 0.81 CA1 (0.51) CA1CA2CA12CA9ALDH1A1
SCHEMBL1822801 0.79 CA2 (0.54) CA1CA2CA12CA9ALDH1A1
SCHEMBL2190923 0.78 CA1 (0.40) CA1CA2CA12CA9PDE4A
SCHEMBL1823913 0.77 CA1 (0.40) CA1CA2CA12CA9ALDH1A1
SCHEMBL1822706 0.75 CA1 (0.38) CA1CA2CA12CA9HTT
SCHEMBL1819380 0.74 CA1 (0.37) CA1CA2CA12CA9PDE4A
SCHEMBL1823042 0.74 CA1 (0.47) CA1CA2CA12CA9
SCHEMBL1817167 0.73 ALDH1A1 (0.53) ALDH1A1KMT2AHTTSMN1; SMN2GAA

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
US-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
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
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
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.