SCHEMBL12845829

SCHEMBL12845829

O=C(ON1Cc2ccc(S(=O)(=O)Nc3nccs3)cc2C1)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PPIA P62937 1/20 0.49
SCN9A Q15858 9/20 0.48
AVPR2 P30518 1/20 0.47
GPR27 Q9NS67 1/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
ESR2 Q92731 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SCN3A Q9NY46 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.46
SCN5A Q14524 2/20 0.46
ALDH1A1 P00352 2/20 0.45
PKM P14618 2/20 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
SCHEMBL12845718 0.83 SCN9A (0.51) SCN9ASCN3ASCN5A
SCHEMBL3169491 0.80 LMNA (0.59) LMNASMN1; SMN2PPIASCN9AAVPR2
SCHEMBL2078112 0.78 LMNA (0.50) LMNASMN1; SMN2PPIASCN9AAVPR2
SCHEMBL12845675 0.76 MEN1 (0.58) LMNASMN1; SMN2SCN9ASCN3AMEN1
SCHEMBL12782829 0.75 SCN3A (0.62) LMNASMN1; SMN2PPIASCN9AMAPT
SCHEMBL12845613 0.74 SCN3A (0.53) LMNASMN1; SMN2SCN9ASCN3ASCN5A
SCHEMBL2078260 0.73 AVPR2 (0.58) LMNASMN1; SMN2PPIASCN9AAVPR2
SCHEMBL12845879 0.73 MEN1 (0.52) LMNASMN1; SMN2SCN9ASCN3AMEN1
SCHEMBL2075384 0.73 SCN3A (0.57) LMNASMN1; SMN2SCN9ASCN3A
SCHEMBL3129504 0.72 MEN1 (0.64) LMNASMN1; SMN2PPIASCN3AMEN1

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 LMNA 2631/4885SMN1; SMN2 2130/4885PPIA 1913/4885
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS CACNA1C, CACNA1B, CACNA1D LMNA 2631/4885SMN1; SMN2 2130/4885PPIA 1913/4885

“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.