SCHEMBL352154

SCHEMBL352154

Cn1nc(C(C)(C)C)cc1C(=O)CBr

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRN P28799 5/20 0.67
SORT1 Q99523 5/20 0.67
KDM4E B2RXH2 1/20 0.67
MAPT P10636 3/20 0.50
MAPK14 Q16539 2/20 0.44
GALR3 O60755 2/20 0.44
RAB9A P51151 1/20 0.44
CTSL P07711 3/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
AAK1 Q2M2I8 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
CACNA1H O95180 1/20 0.40

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
SCHEMBL350610 0.86 GRN (0.67) GRNSORT1KDM4EMAPTMAPK14
SCHEMBL13545145 0.86 GRN (0.67) GRNSORT1KDM4EMAPTMAPK14
SCHEMBL10146249 0.85 GRN (0.65) GRNSORT1KDM4EMAPTMAPK14
SCHEMBL1572486 0.80 GRN (1.00) GRNSORT1KDM4EMAPTMAPK14
SCHEMBL8260077 0.80 GRN (0.73) GRNSORT1KDM4EMAPTMAPK14
SCHEMBL7985728 0.79 KDM4E (0.67) GRNSORT1KDM4EMAPTMAPK14
Hydrochloric Acid SCHEMBL8760885 0.79 GRN (0.96) GRNSORT1KDM4EMAPTMAPK14
SCHEMBL352072 0.79 GRN (0.71) GRNSORT1KDM4EMAPTMAPK14
SCHEMBL350765 0.79 GRN (0.71) GRNSORT1KDM4EMAPTMAPK14
SCHEMBL12868385 0.79 GRN (0.71) GRNSORT1KDM4EMAPTMAPK14

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 8 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 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 GRN 4810/4885SORT1 2723/4885KDM4E 2157/4885

“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.