SCHEMBL1823800

SCHEMBL1823800

COc1ccc(S(=O)(=O)Nc2cc3c(cc2F)COB3O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.46
PDE4A P27815 5/20 0.46
PDE4C Q08493 5/20 0.46
PDE4D Q08499 5/20 0.46
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.39
ACLY P53396 1/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
MOGAT2 Q3SYC2 1/20 0.37
CNR2 P34972 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL1822668 0.86 CA1 (0.39) PDE4BPDE4APDE4CPDE4DCA1
SCHEMBL2405774 0.86 PDE4A (0.52) PDE4BPDE4APDE4CPDE4DCA1
SCHEMBL12271201 0.82 ACLY (0.53) CA1CA2ALDH1A1MAPTPOLB
SCHEMBL1821762 0.82 CA1 (0.56) PDE4BPDE4APDE4CPDE4DCA1
SCHEMBL1825541 0.79 ALDH1A1 (0.45) PDE4BPDE4APDE4CPDE4DCA1
SCHEMBL2191604 0.79 CA1 (0.48) PDE4BPDE4APDE4CPDE4DCA1
SCHEMBL1822963 0.78 CA1 (0.54) PDE4BPDE4APDE4CPDE4DCA1
SCHEMBL2190923 0.78 CA1 (0.40) PDE4BPDE4APDE4CPDE4DCA1
SCHEMBL1823595 0.77 CA1 (0.43) PDE4BPDE4APDE4CPDE4DCA1
SCHEMBL12655496 0.77 ACLY (0.43) PDE4BPDE4APDE4CPDE4DCA1

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 5 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
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 PDE4B 1890/4885PDE4A 3243/4885PDE4C 3275/4885

“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.