SCHEMBL352122

SCHEMBL352122

CC(C)(C)c1cc(-c2noc(C(C)(C)S(=O)(=O)c3ccc(C(F)(F)F)cc3)n2)on1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.43
CNR1 P21554 1/20 0.43
MAPK14 Q16539 1/20 0.41
HDAC4 P56524 10/20 0.40
HDAC6 Q9UBN7 10/20 0.40
HDAC1 Q13547 4/20 0.39
BRS3 P32247 2/20 0.39
POLB P06746 1/20 0.38
GSK3B P49841 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL352500 0.88 HDAC4 (0.41) CNR2CNR1HDAC4HDAC6HDAC1
SCHEMBL352789 0.79 CNR2 (0.46) CNR2CNR1MAPK14HDAC4HDAC6
SCHEMBL1253594 0.75 MAPK14 (0.40) CNR2CNR1MAPK14BRS3POLB
SCHEMBL351166 0.74 CNR2 (0.46) CNR2CNR1MAPK14HDAC4HDAC6
SCHEMBL10146110 0.74 KDM4E (0.42) CNR2CNR1
SCHEMBL352090 0.73 KMT2A (0.47) CNR2CNR1HDAC4POLB
SCHEMBL13618561 0.70 ALDH1A1 (0.34) CNR2CNR1HDAC4HDAC6
SCHEMBL352888 0.69 MAOA (0.36) CNR2CNR1MAPK14
SCHEMBL351388 0.69 CNR2 (0.44) CNR2CNR1HDAC4
SCHEMBL350900 0.68 PTGS2 (0.36) CNR2CNR1

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 8 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-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 2/4885MAPK14 1347/4885

“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.