SCHEMBL10249075

SCHEMBL10249075

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.42
SCN8A Q9UQD0 2/20 0.41
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 3/20 0.37
ALOX15 P16050 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL1576449 0.94 SCN8A (0.44) SCN9ASCN8ACYP3A4ALDH1A1MAPT
SCHEMBL2625934 0.90 SMN1; SMN2 (0.49) SCN9ASCN8ACYP3A4ALDH1A1MAPT
SCHEMBL2626329 0.85 SMN1; SMN2 (0.47) SCN9ASCN8ACYP3A4ALDH1A1MAPT
SCHEMBL2626085 0.85 ALDH1A1 (0.51) SCN9ASCN8AALDH1A1MAPTMAPK1
SCHEMBL2626059 0.85 SCN9A (0.46) SCN9ASCN8ACYP3A4ALDH1A1MAPT
SCHEMBL2626058 0.84 ALDH1A1 (0.48) SCN9ASCN8AALDH1A1MAPTMAPK1
SCHEMBL2626025 0.84 MAPT (0.53) SCN9ASCN8AALDH1A1MAPTHTT
SCHEMBL2626137 0.83 SCN9A (0.48) SCN9ASCN8AALDH1A1MAPTMAPK1
SCHEMBL14683825 0.83 SCN9A (0.44) SCN9ASCN8AALDH1A1MAPTMAPK1
SCHEMBL2626207 0.82 SCN8A (0.42) SCN9ASCN8AALDH1A1HTTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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 81/4885SCN8A 62/4885CYP3A4 2767/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 SCN9A 104/4885SCN8A 78/4885CYP3A4 2502/4885

“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.