SCHEMBL12782863

SCHEMBL12782863

COc1cccc(CC(=O)N2CCc3cc(S(=O)(=O)Nc4ncns4)ccc32)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.64
TRIM24 O15164 2/20 0.55
PKM P14618 1/20 0.54
MAPT P10636 1/20 0.53
POLB P06746 2/20 0.51
RIPK1 Q13546 1/20 0.50
EIF2AK3 Q9NZJ5 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SCN9A Q15858 3/20 0.48
MGAT3 Q09327 3/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SCN5A Q14524 1/20 0.47
TP53 P04637 1/20 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
SCHEMBL12845694 0.86 SCN3A (0.63) SCN3AMAPTPOLBALDH1A1LMNA
SCHEMBL12783516 0.79 SCN3A (0.63) SCN3ATRIM24PKMMAPTPOLB
SCHEMBL12783098 0.79 SCN3A (0.79) SCN3APKMMAPTLMNASMN1; SMN2
SCHEMBL12845952 0.78 SCN3A (0.76) SCN3AMAPTPOLBALDH1A1LMNA
SCHEMBL12782906 0.78 SCN3A (1.00) SCN3ATRIM24MAPTLMNASMN1; SMN2
SCHEMBL12783333 0.78 SCN3A (0.84) SCN3AMAPTLMNASMN1; SMN2SCN9A
SCHEMBL12783216 0.78 SCN3A (0.60) SCN3ATRIM24LMNASMN1; SMN2SCN9A
SCHEMBL12782748 0.78 SCN3A (0.70) SCN3ATRIM24PKMMAPTALDH1A1
SCHEMBL11948278 0.77 SCN3A (0.68) SCN3AMAPTPOLBALDH1A1LMNA
SCHEMBL13209774 0.76 SCN3A (0.75) SCN3ATRIM24PKMMAPTPOLB

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 17/4885TRIM24 3895/4885PKM 2958/4885
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS CACNA1C, CACNA1B, CACNA1D SCN3A 17/4885TRIM24 3895/4885PKM 2958/4885

“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.