SCHEMBL12845878

SCHEMBL12845878

CC(Oc1ccccc1)C(=O)N1CCCc2cc(S(=O)(=O)Nc3nccs3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN1B Q07699 1/20 0.59
SCN8A Q9UQD0 1/20 0.59
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
SCN3A Q9NY46 2/20 0.55
ALDH1A1 P00352 4/20 0.48
POLB P06746 3/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 1/20 0.48
SCN9A Q15858 4/20 0.48
TSHR P16473 1/20 0.45
TP53 P04637 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
SCHEMBL12783079 0.87 SCN3A (0.57) SCN1BSCN8AKMT2AMEN1SCN3A
SCHEMBL2077854 0.84 SCN3A (0.76) SCN1BSCN8AKMT2AMEN1SCN3A
SCHEMBL12783334 0.84 SCN8A (0.57) SCN1BSCN8AKMT2AMEN1SCN3A
SCHEMBL2075404 0.83 MEN1 (0.58) SCN1BSCN8AKMT2AMEN1SCN3A
SCHEMBL12783216 0.82 SCN3A (0.60) SCN1BSCN8ASCN3ALMNASMN1; SMN2
SCHEMBL12783417 0.80 SCN3A (0.65) SCN1BSCN8AKMT2AMEN1SCN3A
SCHEMBL12782820 0.80 SCN3A (0.54) SCN1BSCN8AKMT2AMEN1SCN3A
SCHEMBL12783164 0.79 SCN3A (0.84) SCN1BSCN8AKMT2AMEN1SCN3A
SCHEMBL2077722 0.78 SCN3A (0.64) SCN1BSCN8AKMT2ASCN3AALDH1A1
SCHEMBL12845881 0.78 SCN3A (0.57) SCN1BSCN8AKMT2AMEN1SCN3A

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-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-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 SCN1B 25/4885SCN8A 61/4885KMT2A 3433/4885
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS CACNA1C, CACNA1B, CACNA1D SCN1B 25/4885SCN8A 61/4885KMT2A 3433/4885

“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.