SCHEMBL352789

SCHEMBL352789

CC(C)(C)c1noc(C(C)(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.46
CNR1 P21554 2/20 0.46
ALDH1A1 P00352 1/20 0.38
HDAC4 P56524 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
POLB P06746 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HSD11B1 P28845 1/20 0.36
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
MAPK14 Q16539 1/20 0.36
KIF11 P52732 1/20 0.36
EEF2K O00418 1/20 0.34
P2RY1 P47900 1/20 0.34
GSK3B P49841 1/20 0.34
HDAC1 Q13547 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 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
SCHEMBL351166 0.89 CNR2 (0.46) CNR2CNR1ALDH1A1HDAC4HDAC6
SCHEMBL352122 0.79 CNR2 (0.43) CNR2CNR1HDAC4HDAC6POLB
SCHEMBL352090 0.77 KMT2A (0.47) CNR2CNR1ALDH1A1HDAC4POLB
SCHEMBL10147504 0.72 LMNA (0.34) CNR2CNR1POLBMAPK14KDM4E
SCHEMBL13475364 0.70 PIK3CG (0.40) CNR2HDAC4HDAC6PIK3CG
SCHEMBL77091 0.69 LMNA (0.59) POLBKDM4ETSHRKMT2A
SCHEMBL10147798 0.69 ALDH1A1 (0.69) CNR2CNR1ALDH1A1CA1CA2
SCHEMBL25489131 0.67 PIK3CG (0.40) CNR2PIK3CG
SCHEMBL352500 0.66 HDAC4 (0.41) CNR2CNR1HDAC4HDAC6HDAC1
SCHEMBL10146059 0.66 KIF11 (0.48) CNR2CNR1ALDH1A1CA1CA2

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
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
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 2/4885ALDH1A1 2844/4885

“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.