Sugi Predict

Sugi Predict / Compounds / SCHEMBL2626545

SCHEMBL2626545

SCHEMBL2626545

C[C@@H](C(=O)NC1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2c(F)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 6/20 0.42
▸ ALOX12 P18054 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ METAP2 P50579 1/20 0.40
▸ SCN1A P35498 2/20 0.39
▸ SCN5A Q14524 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ SCN9A Q15858 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ SCN4A P35499 1/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ SCN3A Q9NY46 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
SCHEMBL1822091 1.00 SCN8A (0.42) SCN8AALOX12KDM4EKMT2AMEN1
SCHEMBL10310800 0.96 SCN8A (0.47) SCN8AALOX12KDM4EKMT2AMEN1
SCHEMBL2626330 0.96 SCN8A (0.47) SCN8AALOX12KDM4EKMT2AMEN1
SCHEMBL2626497 0.93 ALOX12 (0.42) SCN8AALOX12KDM4EKMT2AMEN1
SCHEMBL2626223 0.88 SCN9A (0.41) SCN8ASCN1ASCN5ASCN9A
SCHEMBL10310766 0.88 SCN9A (0.41) SCN8ASCN1ASCN5ASCN9A
SCHEMBL10310679 0.88 SCN8A (0.46) SCN8AKDM4EKMT2AMEN1ALDH1A1
SCHEMBL2625839 0.88 SCN8A (0.46) SCN8AKDM4EKMT2AMEN1ALDH1A1
SCHEMBL1576603 0.86 ALOX12 (0.44) SCN8AALOX12KMT2AMEN1ALDH1A1
SCHEMBL1576605 0.86 ALOX12 (0.44) SCN8AALOX12KMT2AMEN1ALDH1A1

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 18 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-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-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-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 — — 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-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-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 62/4885ALOX12 3109/4885KDM4E 1760/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 SCN8A 99/4885ALOX12 2175/4885KDM4E 2958/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 SCN8A 78/4885ALOX12 2941/4885KDM4E 1801/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 SCN8A 88/4885ALOX12 2854/4885KDM4E 1716/4885

“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.