SCHEMBL351120

SCHEMBL351120

Cn1nc(C(C)(C)C)cc1-c1nnc(C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.51
MAPK14 Q16539 5/20 0.41
MAPT P10636 2/20 0.41
MAPK13 O15264 2/20 0.41
MAPK12 P53778 2/20 0.41
MAPK11 Q15759 2/20 0.41
KDM4E B2RXH2 1/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
LMNA P02545 2/20 0.35
PRKCZ Q05513 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
CNR1 P21554 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DDR2 Q16832 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL351873 0.89 CNR2 (0.39) CNR2MAPK14MAPTMAPK13MAPK12
SCHEMBL351577 0.83 CNR2 (0.49) CNR2MAPK14MAPTMAPK13MAPK12
SCHEMBL350333 0.81 CNR2 (0.47) CNR2MAPK14MAPTMAPK13MAPK12
SCHEMBL10147538 0.79 MAPK14 (0.40) CNR2MAPK14MAPTMAPK13MAPK12
SCHEMBL10146074 0.78 KDM4E (0.42) CNR2MAPK14MAPTMAPK13MAPK12
SCHEMBL351776 0.76 CNR2 (0.39) CNR2MAPK14MAPTCNR1MEN1
SCHEMBL350907 0.76 CNR2 (0.51) CNR2MAPK14MAPTMAPK13MAPK12
SCHEMBL352612 0.75 KDM4E (0.33) KDM4EGRNSORT1
SCHEMBL350932 0.74 ALDH1A1 (0.35) CNR2MAPK14MAPTMAPK13MAPK11
SCHEMBL13618716 0.74 KDM4E (0.40) MAPK14MAPTMAPK13MAPK12MAPK11

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 11 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
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 1/4885MAPK14 1347/4885MAPT 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.