SCHEMBL2625928

SCHEMBL2625928

CC(Oc1ccc(O)cc1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
ALOX15 P16050 4/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 5/20 0.41
HTT P42858 3/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 4/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
GFER P55789 1/20 0.40
SCN9A Q15858 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2626058 0.92 ALDH1A1 (0.48) ALDH1A1ALOX15KMT2AKDM4EHSD17B10
SCHEMBL2626541 0.91 SLC6A9 (0.44) ALDH1A1ALOX15KMT2AKDM4EHSD17B10
SCHEMBL2625834 0.90 SCN9A (0.43) ALDH1A1ALOX15KMT2AKDM4EHSD17B10
SCHEMBL2626137 0.89 SCN9A (0.48) ALDH1A1ALOX15KMT2AKDM4EHSD17B10
SCHEMBL14683825 0.87 SCN9A (0.44) ALDH1A1ALOX15KMT2AKDM4EHSD17B10
SCHEMBL2626338 0.87 MAPT (0.44) ALDH1A1ALOX15KMT2AKDM4EHSD17B10
SCHEMBL2626329 0.86 SMN1; SMN2 (0.47) ALDH1A1ALOX15KMT2AKDM4EHSD17B10
SCHEMBL2625871 0.85 SCN5A (0.46) ALDH1A1ALOX15KMT2AKDM4EHSD17B10
SCHEMBL2626409 0.85 ALDH1A1 (0.41) ALDH1A1ALOX15KMT2AKDM4EHSD17B10
SCHEMBL13828266 0.85 MAPT (0.45) ALDH1A1ALOX15KMT2AKDM4ELMNA

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 8 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
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 ALDH1A1 2795/4885ALOX15 2958/4885KMT2A 1777/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 ALDH1A1 1645/4885ALOX15 2249/4885KMT2A 2855/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 ALDH1A1 2531/4885ALOX15 3001/4885KMT2A 1452/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 ALDH1A1 2251/4885ALOX15 2615/4885KMT2A 1129/4885

“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.