SCHEMBL12697199

SCHEMBL12697199

Cc1ccc(S(=O)(=O)CC2CCC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.47
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
KCNH2 Q12809 1/20 0.37
CRBN Q96SW2 1/20 0.37
AOC2 O75106 3/20 0.35
AKT1 P31749 1/20 0.35
PIK3CA P42336 1/20 0.35
PTGS2 P35354 2/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
CNR2 P34972 1/20 0.34
GLP1R P43220 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34

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
SCHEMBL12697203 0.94 JAK2 (0.49) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL23103102 0.82 PTGS1 (0.36) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL16174392 0.81 AOC2 (0.48) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL23089717 0.81 KDM4E (0.49) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL23089272 0.81 ALDH1A1 (0.51) GLP1R
SCHEMBL29736739 0.81 ALDH1A1 (0.51) GLP1R
SCHEMBL12695027 0.81 CHRNA7 (0.40) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL6822328 0.80 CRBN (0.53) CRBN
SCHEMBL12481645 0.78 KDM4E (0.46) AOC2
SCHEMBL24859532 0.76 GLP1R (0.35) JAK2JAK1TYK2JAK3KCNH2

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-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-20 US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 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-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ1, KCNC1 JAK2 3502/4885JAK1 4767/4885TYK2 4093/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 JAK2 3050/4885JAK1 4596/4885TYK2 3641/4885
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ1, KCNC1 JAK2 3502/4885JAK1 4767/4885TYK2 4093/4885

“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.