SCHEMBL12845693

SCHEMBL12845693

CC(C)(C)c1ccc(OCC(=O)N2CCCc3cc(S(=O)(=O)Nc4ncns4)ccc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.73
TP53 P04637 1/20 0.47
LMNA P02545 4/20 0.46
MAPT P10636 3/20 0.46
SCN9A Q15858 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NR3C1 P04150 1/20 0.45
SCN5A Q14524 1/20 0.45
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL12845952 0.89 SCN3A (0.76) SCN3ATP53LMNAMAPTSCN9A
SCHEMBL12845981 0.87 SCN3A (0.73) SCN3ATP53LMNAMAPTSCN9A
SCHEMBL12845837 0.84 SCN3A (0.73) SCN3ATP53LMNAMAPTSCN9A
SCHEMBL12782906 0.84 SCN3A (1.00) SCN3ATP53LMNAMAPTSCN9A
SCHEMBL12783333 0.84 SCN3A (0.84) SCN3ALMNAMAPTSCN9ASMN1; SMN2
SCHEMBL11948278 0.84 SCN3A (0.68) SCN3ATP53LMNAMAPTSCN9A
SCHEMBL12783447 0.84 SCN3A (0.83) SCN3ALMNAMAPTSCN9ASCN5A
SCHEMBL12783098 0.83 SCN3A (0.79) SCN3ATP53LMNAMAPTSCN9A
SCHEMBL12845694 0.82 SCN3A (0.63) SCN3ATP53LMNAMAPTSCN9A
SCHEMBL12782786 0.79 SCN3A (0.81) SCN3ASCN9ASCN5AKMT2A

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 SCN3A 17/4885TP53 4822/4885LMNA 2631/4885
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS CACNA1C, CACNA1B, CACNA1D SCN3A 17/4885TP53 4822/4885LMNA 2631/4885

“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.