SCHEMBL1818154

SCHEMBL1818154

O=C(Nc1ccc(S(=O)(=O)Cl)c(Br)c1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CNR2 P34972 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
ABCC9 O60706 5/20 0.41
ABCC8 Q09428 5/20 0.41
KCNJ11 Q14654 5/20 0.41
KCNJ8 Q15842 5/20 0.41
NPY5R Q15761 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40

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
SCHEMBL6770516 0.80 ALDH1A1 (0.54) CA12CA1CA2CA9CNR2
SCHEMBL1815977 0.80 CA12 (0.46) CA12CA1CA2CA9CYP1A2
SCHEMBL8903304 0.79 CYP1A2 (0.54) CA12CA1CA2CA9CYP1A2
SCHEMBL1820493 0.78 CA12 (0.43) CA12CA1CA2CA9CNR2
SCHEMBL15072381 0.78 CA2 (0.39) CA12CA1CA2CA9L3MBTL1
SCHEMBL1816870 0.77 CYP1A2 (0.44) CA12CA1CA2CA9CNR2
SCHEMBL1820341 0.77 CYP1A2 (0.50) CA12CA1CA2CA9CNR2
SCHEMBL6556596 0.76 CYP1A2 (0.51) CA12CA1CA2CA9CNR2
SCHEMBL1817450 0.76 MTNR1B (0.47) CA12CA1CA2CA9CYP1A2
SCHEMBL15072382 0.75 NPC1 (0.39) CA12CA1CA2CA9SMN1; SMN2

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-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
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 CA12 564/4885CA1 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.