SCHEMBL1576483

SCHEMBL1576483

O=C1C(N2CCc3cc(Cl)ccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.53
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SCN5A Q14524 11/20 0.48
KMT2A Q03164 1/20 0.48
SCN1A P35498 1/20 0.46
SCN8A Q9UQD0 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
SCHEMBL12710655 1.00 SCN9A (0.53) SCN9ALMNASMN1; SMN2SCN5AKMT2A
SCHEMBL1576480 1.00 SCN9A (0.53) SCN9ALMNASMN1; SMN2SCN5AKMT2A
SCHEMBL1576868 0.95 SCN9A (0.52) SCN9ALMNASMN1; SMN2SCN5AKMT2A
SCHEMBL1576275 0.95 SCN9A (0.52) SCN9ALMNASMN1; SMN2SCN5AKMT2A
SCHEMBL1576272 0.95 SCN9A (0.52) SCN9ALMNASMN1; SMN2SCN5AKMT2A
SCHEMBL2626040 0.93 SCN9A (0.51) SCN9ALMNASMN1; SMN2SCN5AKMT2A
SCHEMBL2626538 0.91 SCN9A (0.49) SCN9ALMNASMN1; SMN2SCN5AKMT2A
SCHEMBL2625988 0.90 SCN3A (0.49) SCN9ASCN5AKMT2ASCN8A
SCHEMBL2626311 0.90 ALDH1A1 (0.48) SCN9ASCN5AKMT2ASCN8A
SCHEMBL2626065 0.89 KMT2A (0.52) SCN9ALMNASCN5AKMT2ASCN1A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
EP-2316829-A1 Heterocyclic derivatives as modulators of ion channels Vertex Pharmaceuticals Incorporated (US) 2011-05-04 EP disclosed
EP-2308872-A1 Heterocyclic derivatives as modulators of ion channels Vertex Pharmaceuticals Incorporated (US) 2011-04-13 EP disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 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 (4 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-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, TRPA1, TRPV5 SCN9A 81/4885LMNA 4119/4885SMN1; SMN2 398/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 SCN9A 125/4885LMNA 2366/4885SMN1; SMN2 1123/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 SCN9A 104/4885LMNA 3348/4885SMN1; SMN2 600/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 SCN9A 131/4885LMNA 4008/4885SMN1; SMN2 572/4885

“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.