SCHEMBL352485

SCHEMBL352485

Cn1nc(C(C)(C)C)cc1-c1nnc(C(C)(C)S(=O)(=O)Cc2ccc(F)cc2)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HDAC1 Q13547 1/20 0.33
MAPK14 Q16539 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
GAA P10253 1/20 0.32
BACE1 P56817 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR2 P34972 1/20 0.30
CYP1A2 P05177 1/20 0.30
GALR3 O60755 1/20 0.30
RAB9A P51151 1/20 0.30
MAPK13 O15264 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL351008 0.85 CNR2 (0.39) KDM4EGRNSORT1CNR2CYP1A2
SCHEMBL10147580 0.80 ALDH1A1 (0.33) ALDH1A1MAPTMAPK1NPSR1CYP1A2
SCHEMBL351653 0.79 HDAC1 (0.33) ALDH1A1MAPTMAPK1NPSR1HDAC1
SCHEMBL350932 0.78 ALDH1A1 (0.35) ALDH1A1MAPTMAPK1NPSR1MAPK14
SCHEMBL10147588 0.75 CYP1A2 (0.33) MAPK14KDM4EGRNSORT1CYP1A2
SCHEMBL350907 0.74 CNR2 (0.51) ALDH1A1MAPTMAPK14KDM4EGRN
SCHEMBL10146105 0.74 CYP1A2 (0.44) KDM4EGRNSORT1CNR2CYP1A2
SCHEMBL13618724 0.71 GRN (0.40) KDM4EGRNSORT1CYP1A2
SCHEMBL351826 0.67 CNR2 (0.36) ALDH1A1NPSR1KDM4EGRNSORT1
SCHEMBL10147486 0.66 PTGS2 (0.32) MAPTMAPK1NPSR1KDM4ECNR2

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 ALDH1A1 2844/4885MAPT 3897/4885MAPK1 1511/4885

“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.