SCHEMBL10310702

SCHEMBL10310702

C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C[C@@H]1CO)n1ccc2c(F)cccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.41
PKM P14618 1/20 0.40
SCN8A Q9UQD0 6/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
METAP2 P50579 1/20 0.38
SCN1A P35498 2/20 0.38
SCN5A Q14524 2/20 0.38
SCN9A Q15858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL10310699 1.00 ALOX12 (0.41) ALOX12PKMSCN8AKDM4EALDH1A1
SCHEMBL2625932 1.00 ALOX12 (0.41) ALOX12PKMSCN8AKDM4EALDH1A1
SCHEMBL10310683 0.91 ALOX12 (0.41) ALOX12PKMSCN8AKDM4EALDH1A1
SCHEMBL2626225 0.91 ALOX12 (0.41) ALOX12PKMSCN8AKDM4EALDH1A1
SCHEMBL10310839 0.91 ALOX12 (0.41) ALOX12PKMSCN8AKDM4EALDH1A1
SCHEMBL2625856 0.91 ALOX12 (0.41) ALOX12PKMSCN8AKDM4EALDH1A1
SCHEMBL2626106 0.91 ALOX12 (0.41) ALOX12PKMSCN8AKDM4EALDH1A1
SCHEMBL10310768 0.91 ALOX12 (0.41) ALOX12PKMSCN8AKDM4EALDH1A1
SCHEMBL10310814 0.91 ALOX12 (0.41) ALOX12PKMSCN8AKDM4EALDH1A1
SCHEMBL2626133 0.87 ALOX12 (0.44) ALOX12PKMSCN8AALDH1A1KMT2A

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 13 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-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

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 ALOX12 3109/4885PKM 1130/4885SCN8A 62/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 ALOX12 2175/4885PKM 1759/4885SCN8A 99/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 ALOX12 2941/4885PKM 1246/4885SCN8A 78/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 ALOX12 2854/4885PKM 1844/4885SCN8A 88/4885

“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.