SCHEMBL1820671

SCHEMBL1820671

Nc1ccc(S(=O)(=O)Nc2cc3c(cc2F)COB3O)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
PIK3CD O00329 5/20 0.41
BTK Q06187 1/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
PDE3A Q14432 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PIK3CG P48736 4/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36

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
SCHEMBL2409484 0.87 CA1 (0.47) BTKCA1CA2CA12CA9
SCHEMBL2409582 0.83 CA1 (0.42) BTKCA1CA2CA12CA9
SCHEMBL12655356 0.83 SLC40A1 (0.46) BTKCA1CA2PDE3A
SCHEMBL1134560 0.83 CA1 (0.47) CA1CA2CA12CA9
SCHEMBL1825015 0.82 PDE4A (0.43) CA1CA2CA12CA9PDE3A
SCHEMBL1826005 0.81 BTK (0.37) LMNABTKCA1CA2CA12
SCHEMBL12319412 0.81 CA1 (0.39) BTKCA1CA2CA12CA9
SCHEMBL1824894 0.80 CA1 (0.42) LMNABTKCA1CA2CA12
SCHEMBL2405774 0.80 PDE4A (0.52) CA1CA2HSD17B2PDE4APDE4B
SCHEMBL1822801 0.80 CA2 (0.54) LMNACA1CA2CA12CA9

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 4 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
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 LMNA 3490/4885PIK3CD 3460/4885BTK 7/4885

“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.