SCHEMBL10310683

SCHEMBL10310683

C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)[C@@H](C)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
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN8A Q9UQD0 4/20 0.39
KDM4E B2RXH2 2/20 0.39
SCN9A Q15858 2/20 0.39
SCN5A Q14524 2/20 0.38
SCN3A Q9NY46 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PTGS2 P35354 1/20 0.38
METAP2 P50579 1/20 0.38
SCN1A P35498 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
SCHEMBL2626106 1.00 ALOX12 (0.41) ALOX12PKMALDH1A1KMT2AMEN1
SCHEMBL10310814 1.00 ALOX12 (0.41) ALOX12PKMALDH1A1KMT2AMEN1
SCHEMBL2626225 1.00 ALOX12 (0.41) ALOX12PKMALDH1A1KMT2AMEN1
SCHEMBL10310839 1.00 ALOX12 (0.41) ALOX12PKMALDH1A1KMT2AMEN1
SCHEMBL2625856 1.00 ALOX12 (0.41) ALOX12PKMALDH1A1KMT2AMEN1
SCHEMBL10310768 1.00 ALOX12 (0.41) ALOX12PKMALDH1A1KMT2AMEN1
SCHEMBL10310702 0.91 ALOX12 (0.41) ALOX12PKMALDH1A1KMT2AMEN1
SCHEMBL10310699 0.91 ALOX12 (0.41) ALOX12PKMALDH1A1KMT2AMEN1
SCHEMBL2625932 0.91 ALOX12 (0.41) ALOX12PKMALDH1A1KMT2AMEN1
SCHEMBL2626133 0.89 ALOX12 (0.44) ALOX12PKMALDH1A1KMT2AMEN1

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 1130/4885ALDH1A1 2795/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 ALOX12 2941/4885PKM 1246/4885ALDH1A1 2531/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 ALOX12 2854/4885PKM 1844/4885ALDH1A1 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.