SCHEMBL2406216

SCHEMBL2406216

O=S(=O)(Nc1cc2c(cc1Cl)COB2O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 3/20 0.44
ALOX15 P16050 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
ERBB2 P04626 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43

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
SCHEMBL1817202 0.89 CA1 (0.48) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL1825015 0.85 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL1827408 0.85 CA2 (0.54) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL12319341 0.83 GLO1 (0.41) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL597124 0.79 CA1 (0.61) CA12CA1CA2CA9
SCHEMBL2409484 0.76 CA1 (0.47) KMT2AALDH1A1PDE4APDE4BPDE4C
SCHEMBL2406838 0.75 CA1 (0.46) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL2409582 0.75 CA1 (0.42) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL22114337 0.73 CA1 (0.47) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL22757564 0.73 CA1 (0.46) PDE4APDE4BPDE4CPDE4DCA12

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 3 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

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 HSD17B10 2318/4885MEN1 818/4885KMT2A 1841/4885

“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.