SCHEMBL21381752

SCHEMBL21381752

Cc1ccc(S(=O)(=O)ON2CC(c3cc(F)c(OC(F)(F)F)c(F)c3)C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.35
LIPE Q05469 3/20 0.35
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32
HSD11B1 P28845 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MEN1 O00255 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL21381956 0.87 HCRTR1 (0.35) VDRLIPECYP2D6CYP1A2DRD2
SCHEMBL23211872 0.82 KIF11 (0.40) VDRCYP2D6CYP1A2KMT2ADRD2
SCHEMBL21381655 0.81 VDR (0.34) VDRLIPECYP2D6CYP1A2KMT2A
SCHEMBL21382020 0.81 DRD2 (0.47) VDRLIPEKMT2ABCHEACHE
SCHEMBL21381762 0.80 BCHE (0.41) VDRLIPEKMT2ABCHEACHE
SCHEMBL21381814 0.80 HSD11B1 (0.35) VDRLIPECYP2D6CYP1A2KMT2A
SCHEMBL21384636 0.79 EPAS1 (0.38) VDRLIPECYP2D6CYP1A2BCHE
SCHEMBL23211910 0.79 S100A9 (0.39) VDRLIPECYP2D6CYP1A2DRD2
SCHEMBL21382592 0.77 ALDH1A1 (0.47) VDRCYP2D6CYP1A2KMT2ABCHE
SCHEMBL23211942 0.76 VDR (0.38) VDRCYP2D6CYP1A2DRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
EP-3768684-B1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN LA ROCHE (CH) 2023-02-22 EP disclosed
US-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-04-15 US disclosed
EP-3768684-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-01-27 EP disclosed
WO-2019180185-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-09-26 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 (2 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-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC VDR 4529/4885LIPE 6/4885CYP2D6 1085/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC VDR 4529/4885LIPE 6/4885CYP2D6 1085/4885

“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.