SCHEMBL12782820

SCHEMBL12782820

CC(Oc1cc(Cl)ccc1Cl)C(=O)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.54
SCN1B Q07699 1/20 0.53
SCN8A Q9UQD0 1/20 0.53
SCN9A Q15858 16/20 0.51
SCN5A Q14524 8/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL12783334 0.91 SCN8A (0.57) SCN3ASCN1BSCN8ASCN9ASCN5A
SCHEMBL12783079 0.88 SCN3A (0.57) SCN3ASCN1BSCN8ASCN9ASCN5A
SCHEMBL12783140 0.82 SCN3A (0.58) SCN3ASCN1BSCN8ASCN9ASCN5A
SCHEMBL2075121 0.80 AVPR2 (0.58) SCN3ASCN1BSCN8ASCN9ASCN5A
SCHEMBL12845878 0.80 SCN1B (0.59) SCN3ASCN1BSCN8ASCN9AMEN1
SCHEMBL12783493 0.79 SCN3A (0.57) SCN3ASCN8ASCN9ASCN5A
SCHEMBL12783181 0.79 SCN3A (0.65) SCN3ASCN1BSCN8ASCN9ASCN5A
SCHEMBL12783073 0.78 SCN3A (0.59) SCN3ASCN1BSCN8ASCN9ASCN5A
SCHEMBL12782734 0.78 SCN3A (0.73) SCN3ASCN1BSCN8ASCN9ASCN5A
SCHEMBL12782931 0.77 SCN3A (0.84) SCN3ASCN1BSCN8ASCN9ASCN5A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362032-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-29 US disclosed
US-8362032-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-29 US disclosed
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7786137-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-7786137-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-20090012117-A1 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-01-08 US disclosed
US-20090012117-A1 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-01-08 US 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 (2 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-20090012117-A1 Bicyclic derivatives as modulators of ion channels CACNA1C, CACNA1B, CACNA1D SCN3A 17/4885SCN1B 25/4885SCN8A 61/4885
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS CACNA1C, CACNA1B, CACNA1D SCN3A 17/4885SCN1B 25/4885SCN8A 61/4885

“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.