SCHEMBL2185701

SCHEMBL2185701

CNCC(C)(C)c1cc(NC(=O)OC(C)(C)C)on1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
SCD O00767 1/20 0.43
MAPK14 Q16539 5/20 0.41
CNR2 P34972 11/20 0.40
CNR1 P21554 8/20 0.40
RAF1 P04049 1/20 0.37
CYP17A1 P05093 1/20 0.36

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
SCHEMBL2185599 0.86 CNR2 (0.51) ALDH1A1SCDMAPK14CNR2CNR1
SCHEMBL2186137 0.80 CNR2 (0.43) ALDH1A1SCDMAPK14CNR2CNR1
SCHEMBL13391436 0.78 ALDH1A1 (0.47) ALDH1A1SCDMAPK14CNR2CNR1
SCHEMBL5319788 0.76 ALDH1A1 (0.54) ALDH1A1SCD
SCHEMBL3136764 0.75 CNR2 (0.46) ALDH1A1SCDCNR2CNR1
SCHEMBL892659 0.75 SCD (0.53) ALDH1A1SCDMAPK14CYP17A1
SCHEMBL24959797 0.73 SCD (0.44) ALDH1A1SCDCYP17A1
SCHEMBL892677 0.72 SCD (0.48) ALDH1A1SCD
SCHEMBL11732172 0.71 ALDH1A1 (0.67) ALDH1A1MAPK14CNR2CNR1RAF1
SCHEMBL18844573 0.70 MEN1 (0.46) SCD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342199-B1 Sulfonyl compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INT (DE) 2014-02-26 EP disclosed
US-8372874-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
US-8372874-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
US-8372874-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
EP-2342199-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-07-13 EP disclosed
WO-2010036631-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
WO-2010036631-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 US disclosed
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 US disclosed
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 US 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-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 2112/4885SCD 1678/4885MAPK14 1381/4885

“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.