SCHEMBL352017

SCHEMBL352017

CC(C)(C)c1cc(-c2nnc(C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)o2)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.52
CNR1 P21554 2/20 0.52
BRD4 O60885 1/20 0.48
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 3/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL352100 0.89 BRD4 (0.48) CNR2CNR1BRD4MEN1KMT2A
SCHEMBL350815 0.81 CNR2 (0.42) CNR2CNR1ALDH1A1MAOAMAOB
SCHEMBL350606 0.80 CNR2 (0.49) CNR2CNR1BRD4ALDH1A1MAPK1
SCHEMBL10147491 0.77 BRD4 (0.53) CNR2CNR1BRD4ALDH1A1MAPK1
SCHEMBL10146103 0.76 BRD4 (0.55) CNR2BRD4ALDH1A1MEN1KMT2A
SCHEMBL350907 0.74 CNR2 (0.51) CNR2CNR1ALDH1A1MAOAMAOB
SCHEMBL13618718 0.72 BRD4 (0.51) CNR2BRD4MEN1KMT2ARAB9A
SCHEMBL352888 0.69 MAOA (0.36) CNR2CNR1ALDH1A1MAOAMAOB
SCHEMBL10147809 0.69 CNR2 (0.43) CNR2CNR1BRD4ALDH1A1MAPK1
SCHEMBL19625484 0.68 MEN1 (0.69) CNR2CNR1BRD4ALDH1A1MAPK1

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 CNR2 1/4885CNR1 2/4885BRD4 261/4885

“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.