SCHEMBL12697203

SCHEMBL12697203

Cc1ccc(S(=O)(=O)CC2CC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.49
JAK1 P23458 2/20 0.49
TYK2 P29597 2/20 0.49
JAK3 P52333 2/20 0.49
CRBN Q96SW2 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
GLP1R P43220 1/20 0.38
AOC2 O75106 2/20 0.38
NAMPT P43490 1/20 0.37
CNR2 P34972 3/20 0.36
PTGS2 P35354 2/20 0.36
KCNH2 Q12809 1/20 0.36
CNR1 P21554 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
NR2F2 P24468 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL12697199 0.94 JAK2 (0.47) JAK2JAK1TYK2JAK3CRBN
SCHEMBL16174392 0.84 AOC2 (0.48) JAK2JAK1TYK2JAK3MAOA
SCHEMBL12695032 0.80 GLP1R (0.44) JAK2JAK1TYK2JAK3MAOA
SCHEMBL1782820 0.78 CRBN (0.55) CRBN
SCHEMBL22212570 0.78 GAA (0.45) JAK2JAK1TYK2JAK3NAMPT
SCHEMBL12481464 0.76 KDM4E (0.44) MAOAMAOBAOC2PTGS2LMNA
SCHEMBL16425252 0.76 KCNH2 (0.58) KCNH2
Hydrochloric Acid SCHEMBL28375436 0.75 GAA (0.47) JAK2JAK1TYK2JAK3NAMPT
SCHEMBL23103102 0.75 PTGS1 (0.36) JAK2JAK1TYK2JAK3MAOA
SCHEMBL2536571 0.74 MAOA (0.40) CRBNMAOAMAOBGLP1RAOC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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

“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.