SCHEMBL351008

SCHEMBL351008

Cn1nc(C(C)(C)C)cc1-c1nnc(C(C)(C)S(=O)(=O)c2ccc(F)cc2)o1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
KDM4E B2RXH2 1/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
PHGDH O43175 4/20 0.36
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
PTGS2 P35354 5/20 0.33
PTGS1 P23219 4/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.32
NPC1 O15118 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
CNR1 P21554 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
SCHEMBL350907 0.89 CNR2 (0.51) CNR2KDM4EGRNSORT1MAOA
SCHEMBL352485 0.85 ALDH1A1 (0.35) CNR2KDM4EGRNSORT1MAOA
SCHEMBL351826 0.81 CNR2 (0.36) CNR2KDM4EGRNSORT1PHGDH
SCHEMBL350334 0.79 CNR2 (0.36) CNR2KDM4EGRNSORT1PHGDH
SCHEMBL10147588 0.79 CYP1A2 (0.33) KDM4EGRNSORT1RAB9ACYP1A2
SCHEMBL10146105 0.78 CYP1A2 (0.44) CNR2KDM4EGRNSORT1CYP1A2
SCHEMBL352888 0.77 MAOA (0.36) CNR2MAOAMAOBPTGS2CNR1
SCHEMBL10147580 0.77 ALDH1A1 (0.33) RAB9ACYP1A2
SCHEMBL352561 0.76 KDM4E (0.37) CNR2KDM4EGRNSORT1PHGDH
SCHEMBL351873 0.76 CNR2 (0.39) CNR2KDM4EGRNSORT1PHGDH

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 1/4885KDM4E 2157/4885GRN 4810/4885

“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.