SCHEMBL1604313

SCHEMBL1604313

CC1CN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CCN1C(=O)CN1CCCc2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.40
CXCR3 P49682 3/20 0.39
F10 P00742 1/20 0.38
LMNA P02545 1/20 0.38
NPY5R Q15761 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
GSK3B P49841 1/20 0.36
TNF P01375 2/20 0.35
NOD2 Q9HC29 2/20 0.35
NOD1 Q9Y239 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL2626458 1.00 SCN9A (0.40) SCN9ACXCR3F10LMNANPY5R
SCHEMBL1604311 1.00 SCN9A (0.40) SCN9ACXCR3F10LMNANPY5R
SCHEMBL2626357 0.88 SCN9A (0.43) SCN9AF10LMNANPY5RTP53
SCHEMBL12708849 0.86 SCN9A (0.40) SCN9ALMNACYP1A2CYP2D6GSK3B
SCHEMBL2626070 0.86 SCN3A (0.43) SCN9ACXCR3F10LMNANPY5R
SCHEMBL10310743 0.86 SCN3A (0.43) SCN9ACXCR3F10LMNANPY5R
SCHEMBL11947274 0.82 SCN9A (0.47) SCN9ALMNA
SCHEMBL10310708 0.81 CXCR3 (0.40) SCN9ACXCR3F10CYP1A2CYP2D6
SCHEMBL2625966 0.81 CXCR3 (0.40) SCN9ACXCR3F10CYP1A2CYP2D6
SCHEMBL1576470 0.80 F10 (0.45) SCN9AF10LMNANPY5R

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 9 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
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 81/4885CXCR3 3037/4885F10 3522/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 SCN9A 125/4885CXCR3 1945/4885F10 3540/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 SCN9A 104/4885CXCR3 3713/4885F10 3984/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 SCN9A 131/4885CXCR3 3413/4885F10 4281/4885

“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.