SCHEMBL352500

SCHEMBL352500

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.41
HDAC6 Q9UBN7 5/20 0.41
MAPT P10636 1/20 0.36
CNR2 P34972 7/20 0.36
PTGS2 P35354 2/20 0.36
HDAC1 Q13547 2/20 0.35
CNR1 P21554 3/20 0.35
GRM5 P41594 1/20 0.34
S1PR1 P21453 1/20 0.33

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
SCHEMBL352122 0.88 CNR2 (0.43) HDAC4HDAC6CNR2HDAC1CNR1
SCHEMBL352888 0.80 MAOA (0.36) MAPTCNR2PTGS2CNR1
SCHEMBL350900 0.80 PTGS2 (0.36) MAPTCNR2PTGS2CNR1S1PR1
SCHEMBL10146110 0.76 KDM4E (0.42) CNR2CNR1
SCHEMBL352744 0.75 PTGS2 (0.35) CNR2PTGS2CNR1
SCHEMBL350956 0.74 PTGS2 (0.34) CNR2PTGS2
SCHEMBL13618561 0.72 ALDH1A1 (0.34) HDAC4HDAC6CNR2CNR1
SCHEMBL351388 0.70 CNR2 (0.44) HDAC4CNR2CNR1
SCHEMBL12245198 0.70 PTGS2 (0.48) HDAC6MAPTPTGS2
SCHEMBL10146302 0.70 PTGS2 (0.35) HDAC6MAPTCNR2PTGS2CNR1

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 10 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
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 HDAC4 2262/4885HDAC6 1759/4885MAPT 3897/4885

“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.