SCHEMBL72717

SCHEMBL72717

O=S(=O)(Oc1coc2ccccc12)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.38
CA2 P00918 2/20 0.38
MAOA P21397 4/20 0.36
PTPN1 P18031 3/20 0.36
PSMB5 P28074 2/20 0.33
ADORA2B P29275 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
FTO Q9C0B1 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

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
SCHEMBL31042133 0.80 CYP11B1 (0.36) MAOBMAOAPTPN1
SCHEMBL3928046 0.79 KCNA3 (0.46) MAOBMAOAFTODRD2DRD1
SCHEMBL32691417 0.79 KMT2A (0.44) MAOBMAOACA12FTO
SCHEMBL32691372 0.79 DAO (0.33) MAOBMAOAPTPN1DRD2DRD4
SCHEMBL15447339 0.79 MAPT (0.43) CA2CA1CA9
SCHEMBL4504937 0.79 PTGS1 (0.36) CA2CA12CA9
SCHEMBL3771766 0.79 PTPN1 (0.41) MAOBMAOAPTPN1
SCHEMBL12986005 0.77 KCNA3 (0.51) MAOBCA12CA1CA9
SCHEMBL6851155 0.77 MEN1 (0.38) CA2CA1CA9DRD2DRD1
SCHEMBL2083806 0.77 PIN1 (0.48) MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116239562-A Method for synthesizing doxepin hydrochloride by taking benzofuranone as raw material 江苏师范大学 2023-06-09 CN claimed
CN-116239562-A Method for synthesizing doxepin hydrochloride by taking benzofuranone as raw material 江苏师范大学 2023-06-09 CN disclosed
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 EP disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 WO disclosed
US-5665722-A Benzofuran derivatives as D4 receptor antagonists MERCK, SHARP & DOHME, LTD. (GB) 1997-09-09 US disclosed
EP-0757686-A1 BENZOFURAN DERIVATIVES AS D 4? RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-02-12 EP disclosed
WO-1995029911-A1 BENZOFURAN DERIVATIVES AS D4 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-09 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 (4 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAOB 2184/4885CA2 1554/4885MAOA 776/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MAOB 2935/4885CA2 1725/4885MAOA 1018/4885
US-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC MAOB 1270/4885CA2 1736/4885MAOA 2048/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAOB 3331/4885CA2 1009/4885MAOA 1548/4885

“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.