SCHEMBL1576449

SCHEMBL1576449

CC(Oc1cccc(Cl)c1Cl)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 3/20 0.44
SCN9A Q15858 6/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
DGAT1 O75907 1/20 0.38
SCN1A P35498 1/20 0.38
SCN5A Q14524 1/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2625934 0.94 SMN1; SMN2 (0.49) SCN8ASCN9AALDH1A1SMN1; SMN2HPGD
SCHEMBL10249075 0.94 SCN9A (0.42) SCN8ASCN9AALDH1A1SMN1; SMN2HPGD
SCHEMBL2626207 0.88 SCN8A (0.42) SCN8ASCN9AALDH1A1SMN1; SMN2HPGD
SCHEMBL2626059 0.88 SCN9A (0.46) SCN8ASCN9AALDH1A1SMN1; SMN2HPGD
SCHEMBL2626085 0.88 ALDH1A1 (0.51) SCN8ASCN9AALDH1A1SMN1; SMN2HPGD
SCHEMBL2626329 0.87 SMN1; SMN2 (0.47) SCN8ASCN9AALDH1A1SMN1; SMN2TP53
SCHEMBL2626137 0.86 SCN9A (0.48) SCN8ASCN9AALDH1A1SMN1; SMN2TP53
SCHEMBL2626058 0.85 ALDH1A1 (0.48) SCN8ASCN9AALDH1A1SMN1; SMN2MAPT
SCHEMBL2626025 0.85 MAPT (0.53) SCN8ASCN9AALDH1A1SMN1; SMN2HPGD
SCHEMBL14683825 0.84 SCN9A (0.44) SCN8ASCN9AALDH1A1SMN1; SMN2MAPT

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 28 patents — showing the first 20. 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-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-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 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-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 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-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US 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-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 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
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
WO-2007075895-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 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 (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 SCN8A 62/4885SCN9A 81/4885ALDH1A1 2795/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 SCN8A 99/4885SCN9A 125/4885ALDH1A1 1645/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 SCN8A 78/4885SCN9A 104/4885ALDH1A1 2531/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 SCN8A 88/4885SCN9A 131/4885ALDH1A1 2251/4885

“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.