SCHEMBL31155693

SCHEMBL31155693

CC(C)(C)OC(=O)N[C@H]1CC[C@H](S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 7/20 0.55
DRD2 P14416 1/20 0.46
KDM4D Q6B0I6 1/20 0.41
KAT6A Q92794 1/20 0.41
KAT5 Q92993 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
KCNA3 P22001 1/20 0.41
CTSK P43235 2/20 0.40
EPHX2 P34913 1/20 0.39
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 2/20 0.38
MMP7 P09237 2/20 0.38
MMP9 P14780 2/20 0.38
MMP13 P45452 2/20 0.38

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
SCHEMBL31155717 0.83 CCR6 (0.58) CCR6DRD2KDM4DKCNA3CTSK
SCHEMBL29850045 0.82 MAOB (0.46) DRD2KAT6AKAT5KDM1AMAOB
SCHEMBL30939416 0.82 MAOB (0.46) DRD2KAT6AKAT5KDM1AMAOB
SCHEMBL6153963 0.78 DRD2 (0.54) CCR6DRD2KDM4DKDM1AMAOB
SCHEMBL6153965 0.78 DRD2 (0.54) CCR6DRD2KDM4DKDM1AMAOB
SCHEMBL29850181 0.78 CCR6 (0.60) CCR6KDM4DKAT6AKAT5
SCHEMBL30939380 0.77 NAMPT (0.55)
SCHEMBL32670457 0.77 NAMPT (0.55)
SCHEMBL5202966 0.76 CTSK (0.53) DRD2KDM4DGPR119KCNA3CTSK
SCHEMBL1867760 0.75 TGM2 (0.51) KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661964-A1 COMPOUNDS AS CCR6 INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-12-17 EP disclosed
US-20250353859-A1 COMPOUNDS AS CCR6 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2025-11-20 US disclosed
WO-2024165453-A1 COMPOUNDS AS CCR6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-08-15 WO 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-20250353859-A1 COMPOUNDS AS CCR6 INHIBITORS CCR6, CCR4, CCR1 CCR6 1/4885DRD2 1294/4885KDM4D 1000/4885

“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.