SCHEMBL2189158

SCHEMBL2189158

[2H]C([2H])([2H])OC(=O)Cc1cc(N)ccc1S(=O)(=O)Nc1cc2c(cc1F)COB2O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.37
CA1 P00915 6/20 0.37
CA2 P00918 6/20 0.37
CA9 Q16790 6/20 0.37
PDE4B Q07343 7/20 0.33
PDE4A P27815 6/20 0.33
PDE4C Q08493 6/20 0.33
PDE4D Q08499 6/20 0.33
CA4 P22748 4/20 0.33
BTK Q06187 1/20 0.33
CCR2 P41597 1/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL2191169 0.94 CA12 (0.39) CA12CA1CA2CA9PDE4B
SCHEMBL1819380 0.90 CA1 (0.37) CA12CA1CA2CA9PDE4B
SCHEMBL1826592 0.88 CA1 (0.41) CA12CA1CA2CA9PDE4B
SCHEMBL2190704 0.88 CA1 (0.41) CA12CA1CA2CA9PDE4B
SCHEMBL1823595 0.86 CA1 (0.43) CA12CA1CA2CA9PDE4B
SCHEMBL1818865 0.83 CA1 (0.42) CA12CA1CA2CA9PDE4B
SCHEMBL2191604 0.81 CA1 (0.48) CA12CA1CA2CA9PDE4B
SCHEMBL2190923 0.81 CA1 (0.40) CA12CA1CA2CA9PDE4B
SCHEMBL1820499 0.80 CA1 (0.38) CA12CA1CA2CA9PDE4B
SCHEMBL1823070 0.79 CA1 (0.40) CA12CA1CA2CA9CA4

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 2 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-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 US 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 CA12 564/4885CA1 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.