SCHEMBL350900

SCHEMBL350900

CC(C)(C)c1cc(-c2nc(C(C)(C)S(=O)(=O)c3ccc(F)cc3)no2)on1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.36
CNR2 P34972 4/20 0.35
CNR1 P21554 3/20 0.35
CHRNA7 P36544 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
PLAT P00750 1/20 0.31

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
SCHEMBL352888 0.81 MAOA (0.36) PTGS2CNR2CNR1MAPTGAA
SCHEMBL352500 0.80 HDAC4 (0.41) PTGS2CNR2CNR1S1PR1MAPT
SCHEMBL10146108 0.77 PIK3CG (0.44) CNR2CNR1L3MBTL1ALDH1A1HPGD
SCHEMBL10147494 0.77 CNR2 (0.30) CNR2
SCHEMBL352744 0.76 PTGS2 (0.35) PTGS2CNR2CNR1EDNRBEDNRA
SCHEMBL350956 0.75 PTGS2 (0.34) PTGS2CNR2EDNRBEDNRAALDH1A1
SCHEMBL13618560 0.73 PIK3CG (0.35) CNR2L3MBTL1ALDH1A1PIK3CG
SCHEMBL12245198 0.71 PTGS2 (0.48) PTGS2MAPT
SCHEMBL351301 0.71 CNR2 (0.46) CNR2CNR1
SCHEMBL10146302 0.71 PTGS2 (0.35) PTGS2CNR2CNR1MAPTGAA

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 9 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
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
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 PTGS2 263/4885CNR2 1/4885CNR1 2/4885

“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.