SCHEMBL1822706

SCHEMBL1822706

CC(C)OC(=O)Nc1cc(N)ccc1S(=O)(=O)Nc1cc2c(cc1F)COB2O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.38
CA2 P00918 10/20 0.38
CA12 O43570 8/20 0.38
CA9 Q16790 8/20 0.38
BTK Q06187 1/20 0.34
CA4 P22748 4/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3A Q14432 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
SCHEMBL2190923 0.91 CA1 (0.40) CA1CA2CA12CA9BTK
SCHEMBL1820499 0.88 CA1 (0.38) CA1CA2CA12CA9BTK
SCHEMBL1815640 0.86 CA1 (0.45) CA1CA2CA12CA9CA4
SCHEMBL2191604 0.82 CA1 (0.48) CA1CA2CA12CA9BTK
SCHEMBL1823595 0.80 CA1 (0.43) CA1CA2CA12CA9BTK
SCHEMBL1820482 0.80 CA1 (0.45) CA1CA2CA12CA9POLB
SCHEMBL2191169 0.79 CA12 (0.39) CA1CA2CA12CA9BTK
SCHEMBL2189158 0.79 CA12 (0.37) CA1CA2CA12CA9BTK
SCHEMBL2190704 0.78 CA1 (0.41) CA1CA2CA12CA9BTK
SCHEMBL1826592 0.78 CA1 (0.41) CA1CA2CA12CA9BTK

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 7 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 claimed
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.