SCHEMBL352888

SCHEMBL352888

CC(C)(C)c1cc(-c2nnc(C(C)(C)S(=O)(=O)c3ccc(F)cc3)o2)on1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
PTGS2 P35354 3/20 0.35
CNR2 P34972 4/20 0.32
CNR1 P21554 3/20 0.32
BACE1 P56817 2/20 0.32
MAPK14 Q16539 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
PIK3CD O00329 2/20 0.31
PIK3CB P42338 2/20 0.31
PIK3CG P48736 2/20 0.31
PPIA P62937 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL10146302 0.89 PTGS2 (0.35) MAOAMAOBPTGS2CNR2CNR1
SCHEMBL350815 0.88 CNR2 (0.42) MAOAMAOBCNR2CNR1MAPK14
SCHEMBL351632 0.88 CNR2 (0.36) MAOAMAOBPTGS2CNR2CNR1
SCHEMBL351653 0.84 HDAC1 (0.33) MAOAMAOBPTGS2CNR2BACE1
SCHEMBL352120 0.84 MAOA (0.30) MAOAMAOBALDH1A1HPGDHSD17B10
SCHEMBL350900 0.81 PTGS2 (0.36) PTGS2CNR2CNR1EDNRBEDNRA
SCHEMBL352100 0.81 BRD4 (0.48) MAOAMAOBPTGS2CNR2CNR1
SCHEMBL352500 0.80 HDAC4 (0.41) PTGS2CNR2CNR1MAPT
SCHEMBL10147579 0.78 NPC1 (0.33) MAPK14
SCHEMBL351008 0.77 CNR2 (0.39) MAOAMAOBPTGS2CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP claimed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US claimed
EP-2283001-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP claimed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO claimed
EP-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
EP-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
EP-2283001-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP disclosed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO disclosed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 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 (1 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-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 MAOA 3696/4885MAOB 2588/4885PTGS2 263/4885

“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.