SCHEMBL352647

SCHEMBL352647

CC(C)(C)c1cc(C#N)on1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CNR2 P34972 3/20 0.33
MAPK14 Q16539 4/20 0.33
MAP3K14 Q99558 1/20 0.32
CNR1 P21554 1/20 0.31
IKBKE Q14164 1/20 0.30
TBK1 Q9UHD2 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
SCHEMBL10119311 0.73 ALDH1A1 (0.38) ALDH1A1CNR2MAPK14
SCHEMBL10547741 0.71
SCHEMBL427051 0.69 ALDH1A1 (0.43) ALDH1A1MAPK14
SCHEMBL22858889 0.68 ALDH1A1 (0.43) ALDH1A1CNR2MAPK14
SCHEMBL22140151 0.67 ALDH1A1 (0.42) ALDH1A1CNR2MAPK14
SCHEMBL22140385 0.67 ALDH1A1 (0.42) ALDH1A1CNR2MAPK14CNR1
SCHEMBL25876534 0.67 ALDH1A1 (0.42) ALDH1A1CNR2MAPK14
SCHEMBL9767722 0.67 ALDH1A1 (0.42) ALDH1A1CNR2MAPK14
SCHEMBL10169579 0.67 ALDH1A1 (0.46) ALDH1A1CNR2MAPK14
SCHEMBL16418628 0.67 ALDH1A1 (0.46) ALDH1A1CNR2MAPK14CNR1

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 ALDH1A1 2844/4885CNR2 1/4885MAPK14 1347/4885

“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.