SCHEMBL12845879

SCHEMBL12845879

CC(Oc1cccc(Cl)c1)C(=O)N1Cc2ccc(S(=O)(=O)Nc3nccs3)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SCN3A Q9NY46 1/20 0.52
POLB P06746 2/20 0.47
SCN9A Q15858 6/20 0.46
SCN5A Q14524 2/20 0.46
SCN8A Q9UQD0 7/20 0.46
SCN1A P35498 4/20 0.46
SCN1B Q07699 3/20 0.46
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL12783467 0.94 MEN1 (0.49) MEN1KMT2ASCN3APOLBSCN9A
SCHEMBL2075404 0.85 MEN1 (0.58) MEN1KMT2ASCN3APOLBSCN9A
SCHEMBL12845613 0.85 SCN3A (0.53) SCN3ASCN9ASCN5ASCN8ASCN1A
SCHEMBL12783079 0.85 SCN3A (0.57) MEN1KMT2ASCN3APOLBSCN9A
SCHEMBL12845556 0.84 SCN3A (0.51) MEN1KMT2ASCN3APOLBSCN9A
SCHEMBL15113156 0.79 KMT2A (0.81) MEN1KMT2ASCN3APOLBSCN9A
SCHEMBL12783296 0.79 SCN9A (0.48) MEN1KMT2ASCN3APOLBSCN9A
SCHEMBL12845725 0.76 SCN3A (0.59) MEN1KMT2ASCN3ASCN9ASCN5A
SCHEMBL2078112 0.75 LMNA (0.50) MEN1KMT2ASCN3ASCN9ASCN8A
SCHEMBL12845942 0.75 SCN8A (0.47) MEN1KMT2ASCN3ASCN9ASCN5A

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS CACNA1C, CACNA1B, CACNA1D MEN1 4280/4885KMT2A 3433/4885SCN3A 17/4885

“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.