SCHEMBL351632

SCHEMBL351632

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.36
CNR1 P21554 4/20 0.36
RORC P51449 2/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PTGS2 P35354 1/20 0.32
BACE1 P56817 2/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
MAPT P10636 1/20 0.31
PHGDH O43175 1/20 0.30
PPIA P62937 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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 0.91 PTGS2 (0.35) CNR2CNR1MAOAMAOBPTGS2
SCHEMBL352888 0.88 MAOA (0.36) CNR2CNR1MAOAMAOBPTGS2
SCHEMBL352120 0.85 MAOA (0.30) MAOAMAOBALDH1A1HDAC6HPGD
SCHEMBL10147490 0.80
SCHEMBL352429 0.79 CNR2 (0.34) CNR2CNR1PTGS2ALDH1A1EDNRB
SCHEMBL10146118 0.78 CNR2 (0.34) CNR2CNR1
SCHEMBL350815 0.77 CNR2 (0.42) CNR2CNR1MAOAMAOBALDH1A1
SCHEMBL13618563 0.76 CNR2 (0.33) CNR2CNR1
SCHEMBL351653 0.76 HDAC1 (0.33) CNR2MAOAMAOBPTGS2BACE1
SCHEMBL352100 0.74 BRD4 (0.48) CNR2CNR1MAOAMAOBPTGS2

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 CNR2 1/4885CNR1 2/4885RORC 167/4885

“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.