SCHEMBL21384636

SCHEMBL21384636

Cc1ccc(S(=O)(=O)ON2CC(c3ccc(OC(F)(F)F)c(Br)c3)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 6/20 0.38
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
STAT3 P40763 1/20 0.34
LIPE Q05469 3/20 0.33
DRD2 P14416 2/20 0.33
DRD1 P21728 2/20 0.33
DRD4 P21917 2/20 0.33
DRD5 P21918 2/20 0.33
DRD3 P35462 2/20 0.33
VDR P11473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PTPN1 P18031 2/20 0.33
PTPN2 P17706 1/20 0.33
PTPN6 P29350 1/20 0.33
PPARG P37231 1/20 0.33
HTR6 P50406 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 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
SCHEMBL21381655 0.89 VDR (0.34) STAT3LIPEDRD2DRD1DRD4
SCHEMBL21381956 0.88 HCRTR1 (0.35) EPAS1LIPEDRD2DRD1DRD4
SCHEMBL21381814 0.88 HSD11B1 (0.35) LIPEDRD2DRD1DRD4DRD5
SCHEMBL23211910 0.87 S100A9 (0.39) EPAS1KDM4EALDH1A1LIPEDRD2
SCHEMBL21382020 0.81 DRD2 (0.47) ALDH1A1LIPEDRD2DRD1DRD4
SCHEMBL21381752 0.79 VDR (0.35) KDM4EALDH1A1LIPEDRD2DRD1
SCHEMBL21381893 0.79 VDR (0.36) KDM4EALDH1A1STAT3DRD2DRD1
SCHEMBL21382592 0.77 ALDH1A1 (0.47) KDM4EALDH1A1VDRCYP1A2CYP2D6
SCHEMBL23211872 0.77 KIF11 (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL21381802 0.77 VDR (0.40) KDM4EALDH1A1DRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936503-B Oxazine monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2023-09-12 CN disclosed
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
CN-111936503-A Oxazin monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2020-11-13 CN 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 EPAS1 4142/4885KDM4E 1888/4885ALDH1A1 1432/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC EPAS1 4142/4885KDM4E 1888/4885ALDH1A1 1432/4885

“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.