SCHEMBL23211872

SCHEMBL23211872

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.40
KDM1A O60341 1/20 0.39
PTGS2 P35354 5/20 0.37
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
VDR P11473 1/20 0.35
PTGS1 P23219 3/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP1A2 P05177 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
SCHEMBL21381814 0.84 HSD11B1 (0.35) PTGS2DRD2DRD4DRD3VDR
SCHEMBL21381956 0.84 HCRTR1 (0.35) DRD2DRD4DRD3VDRDRD1
SCHEMBL21382592 0.82 ALDH1A1 (0.47) PTGS2VDRCYP1A2CYP2D6KMT2A
SCHEMBL21381752 0.82 VDR (0.35) DRD2DRD4DRD3VDRDRD1
SCHEMBL21381802 0.79 VDR (0.40) DRD2DRD4DRD3VDRDRD1
SCHEMBL23211942 0.79 VDR (0.38) DRD2DRD4DRD3VDRDRD1
SCHEMBL21381655 0.79 VDR (0.34) PTGS2DRD2DRD4DRD3VDR
SCHEMBL21381636 0.79 KMT2A (0.36) DRD2DRD4DRD3VDRDRD1
SCHEMBL23211910 0.77 S100A9 (0.39) DRD2DRD4DRD3VDRDRD1
SCHEMBL21384636 0.77 EPAS1 (0.38) DRD2DRD4DRD3VDRDRD1

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
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
CN-111936503-A Oxazin monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2020-11-13 CN 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 KIF11 1388/4885KDM1A 1480/4885PTGS2 4323/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC KIF11 1388/4885KDM1A 1480/4885PTGS2 4323/4885

“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.