SCHEMBL3472037

SCHEMBL3472037

O=S(=O)(Nc1ccc2c(c1)B(O)OC2)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.55
CA1 P00915 9/20 0.48
CA2 P00918 9/20 0.48
CA12 O43570 8/20 0.48
CA9 Q16790 8/20 0.48
HDAC1 Q13547 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
CA4 P22748 4/20 0.46
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL13111156 0.87 FFAR4 (0.52) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL13127071 0.85 CA1 (0.49) CA1CA2CA12CA9CA4
SCHEMBL2404339 0.85 CA1 (0.63) FFAR4CA1CA2CA12CA9
SCHEMBL13429149 0.85 CA12 (0.66) CA1CA2CA12CA9CA4
SCHEMBL2404366 0.85 CA1 (0.56) CA1CA2CA12CA9CA4
SCHEMBL3421164 0.84 CA12 (0.64) CA1CA2CA12CA9CA4
SCHEMBL3473383 0.83 CA1 (0.53) CA1CA2CA12CA9CA4
SCHEMBL13111190 0.83 CA1 (0.53) FFAR4CA1CA2CA12CA9
SCHEMBL13429353 0.82 CA1 (0.60) CA1CA2CA12CA9CA4
SCHEMBL13637114 0.82 CA1 (0.52) CA1CA2CA12CA9CA4

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-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
WO-2009140309-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2009-11-19 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-20100256092-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD FFAR4 3620/4885CA1 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.