SCHEMBL1824434

SCHEMBL1824434

Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)B(O)OC3)cc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 11/20 0.57
FFAR1 O14842 3/20 0.54
CA12 O43570 7/20 0.50
CA1 P00915 7/20 0.50
CA2 P00918 7/20 0.50
CA9 Q16790 7/20 0.50
CA4 P22748 3/20 0.46

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
SCHEMBL1822338 0.87 CA1 (0.49) FFAR4CA12CA1CA2CA9
SCHEMBL1815618 0.86 TOP2A (0.49) FFAR4CA12CA1CA2CA9
SCHEMBL13429149 0.84 CA12 (0.66) CA12CA1CA2CA9CA4
SCHEMBL1135223 0.83 CA1 (0.57) CA12CA1CA2CA9CA4
SCHEMBL3417215 0.82 CA1 (0.56) CA12CA1CA2CA9CA4
SCHEMBL3422237 0.81 GFER (0.53) CA12CA1CA2CA9CA4
SCHEMBL13111191 0.81 CA12 (0.55) CA12CA1CA2CA9CA4
SCHEMBL3421164 0.81 CA12 (0.64) CA12CA1CA2CA9CA4
SCHEMBL1827664 0.81 CA1 (0.47) CA12CA1CA2CA9CA4
Hydrochloric Acid SCHEMBL3474087 0.80 CA12 (0.53) CA12CA1CA2CA9CA4

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 6 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 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 FFAR4 3620/4885FFAR1 3405/4885CA12 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.