SCHEMBL2625819

SCHEMBL2625819

CC(C)C1(C(C)C)CCSc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC6A2 P23975 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.31
RYR2 Q92736 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL2625820 0.81 PDK2 (0.31) SLC6A4SLC6A3SLC6A2
SCHEMBL10311221 0.80 BACE1 (0.33) KIF11MEN1ALDH1A1GAAKMT2A
SCHEMBL1649848 0.75 RARA (0.40) KIF11MEN1ALDH1A1GAAKMT2A
SCHEMBL12657304 0.72 KIF11 (0.38) KIF11MEN1KMT2AHPGDBACE1
SCHEMBL20921350 0.71 MEN1 (0.34) KIF11MEN1ALDH1A1GAAKMT2A
SCHEMBL12234872 0.70 ALDH1A1 (0.33) KIF11MEN1ALDH1A1GAAKMT2A
SCHEMBL9144658 0.68 HPGD (0.35) MEN1ALDH1A1GAAKMT2AHPGD
SCHEMBL7304328 0.68 KIF11 (0.35) KIF11MEN1ALDH1A1GAAKMT2A
SCHEMBL9808255 0.68 KIF11 (0.31) KIF11MEN1ALDH1A1GAAKMT2A
SCHEMBL7782439 0.67 KDM1A (0.44) ALDH1A1

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-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 KIF11 3960/4885SLC6A4 208/4885SLC6A3 224/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 KIF11 3655/4885SLC6A4 351/4885SLC6A3 417/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 KIF11 3776/4885SLC6A4 252/4885SLC6A3 321/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 KIF11 3806/4885SLC6A4 520/4885SLC6A3 888/4885

“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.