SCHEMBL2078112

SCHEMBL2078112

O=C(N1Cc2ccc(S(=O)(=O)Nc3nccs3)cc2C1)C(Cl)(Cl)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.49
PKM P14618 2/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP2C9 P11712 1/20 0.47
EDNRA P25101 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.46
SCN3A Q9NY46 1/20 0.46
SCN1B Q07699 1/20 0.46
SCN8A Q9UQD0 1/20 0.46
HTT P42858 1/20 0.45
AVPR2 P30518 1/20 0.45
GPR27 Q9NS67 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
SCHEMBL2077480 0.82 SCN3A (0.51) LMNASMN1; SMN2ALDH1A1PKMMEN1
SCHEMBL12845675 0.81 MEN1 (0.58) LMNASMN1; SMN2ALDH1A1PKMMEN1
SCHEMBL12845826 0.79 SCN3A (0.59) ALDH1A1PKMSCN3ASCN9A
SCHEMBL3169491 0.78 LMNA (0.59) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL12845829 0.78 LMNA (0.56) LMNASMN1; SMN2ALDH1A1PKMMEN1
SCHEMBL12845725 0.78 SCN3A (0.59) SMN1; SMN2ALDH1A1PKMMEN1KMT2A
SCHEMBL12845590 0.77 SCN3A (0.71) SMN1; SMN2ALDH1A1PKMMEN1KMT2A
SCHEMBL12845613 0.77 SCN3A (0.53) LMNASMN1; SMN2SCN3ASCN8ASCN9A
SCHEMBL12845594 0.77 SCN3A (0.57) ALDH1A1PKMSCN3A
SCHEMBL13228787 0.77 MOGAT2 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AHTT

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 14 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
EP-1891063-B1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2012-07-25 EP disclosed
EP-1891063-B1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2012-07-25 EP 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-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
US-20090012117-A1 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-01-08 US disclosed
EP-1891063-A2 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals, Inc. (US) 2008-02-27 EP disclosed
WO-2006122014-A2 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-16 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 (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 LMNA 2631/4885SMN1; SMN2 2130/4885ALDH1A1 3507/4885
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS CACNA1C, CACNA1B, CACNA1D LMNA 2631/4885SMN1; SMN2 2130/4885ALDH1A1 3507/4885

“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.