SCHEMBL21381801

SCHEMBL21381801

Cc1ccc(S(=O)(=O)O)cc1.FC(F)(F)Oc1ccc(C2CNC2)c(Cl)c1

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 known ✓ P17787 2/20 0.36
CHRNA4 known ✓ P43681 2/20 0.36
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
EPHX2 P34913 2/20 0.41
EPHX1 P07099 1/20 0.41
FFAR4 Q5NUL3 2/20 0.37
LIPE Q05469 1/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PRSS1 P07477 1/20 0.35
ACR P10323 1/20 0.35
HCRTR2 O43614 1/20 0.35
HTR6 P50406 1/20 0.35
PTGER1 P34995 1/20 0.35
CYP2D6 P10635 1/20 0.34
HTR2A P28223 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DRD2 P14416 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
SCHEMBL30568009 1.00 BCHE (0.41) BCHEACHEEPHX2EPHX1FFAR4
SCHEMBL21381760 0.88 BCHE (0.41) BCHEACHEEPHX2EPHX1FFAR4
SCHEMBL30567964 0.88 BCHE (0.41) BCHEACHEEPHX2EPHX1FFAR4
SCHEMBL21382019 0.83 HCRTR2 (0.41) BCHEACHEEPHX2EPHX1MEN1
SCHEMBL23211909 0.79 S100A9 (0.39) EPHX2EPHX1CYP2D6KDM4E
SCHEMBL21381804 0.77 LIPE (0.41) BCHEACHEEPHX2EPHX1FFAR4
SCHEMBL27154213 0.75 BCHE (0.52) BCHEACHEEPHX2EPHX1FFAR4
SCHEMBL21381751 0.75 CYP2D6 (0.36) BCHEACHEEPHX2EPHX1FFAR4
SCHEMBL25323656 0.75 EPHX1 (0.36) BCHEACHEEPHX2EPHX1LIPE
SCHEMBL25325419 0.74 ENPP2 (0.41) BCHEACHEEPHX2EPHX1FFAR4

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 CHRNB2 4043/4885CHRNA4 4167/4885BCHE 186/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC CHRNB2 4043/4885CHRNA4 4167/4885BCHE 186/4885

“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.