SCHEMBL10171233

SCHEMBL10171233

CCOCC(C)(C)c1cc(NC(=O)C(C)C)on1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.46
CNR2 P34972 13/20 0.45
ALDH1A1 P00352 1/20 0.45
CNR1 P21554 8/20 0.44

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
SCHEMBL13413840 0.94 CNR2 (0.51) MAPK14CNR2ALDH1A1CNR1
SCHEMBL12566972 0.87 CNR2 (0.43) MAPK14CNR2ALDH1A1CNR1
SCHEMBL9891817 0.86 CNR2 (0.56) MAPK14CNR2ALDH1A1CNR1
SCHEMBL12566545 0.86 CNR2 (0.52) MAPK14CNR2ALDH1A1CNR1
SCHEMBL13413811 0.84 CNR2 (0.47) MAPK14CNR2ALDH1A1CNR1
SCHEMBL13413812 0.83 CNR2 (0.46) MAPK14CNR2ALDH1A1CNR1
SCHEMBL9891815 0.82 CNR2 (0.54) MAPK14CNR2ALDH1A1CNR1
SCHEMBL9891814 0.81 LMNA (0.42) MAPK14CNR2ALDH1A1CNR1
SCHEMBL9891808 0.80 ALDH1A1 (0.67) MAPK14CNR2ALDH1A1CNR1
SCHEMBL10171265 0.79 ALDH1A1 (0.53) MAPK14CNR2ALDH1A1CNR1

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
US-8362039-B2 Therapeutic uses of compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362039-B2 Therapeutic uses of compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8349871-B2 Therapeutic uses of compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 US disclosed
US-20120010184-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-20110312932-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312932-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-8048899-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-01 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (3 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-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 MAPK14 1381/4885CNR2 1/4885ALDH1A1 2112/4885
US-20110312932-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 MAPK14 2005/4885CNR2 1/4885ALDH1A1 1813/4885
US-20120010184-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 MAPK14 2005/4885CNR2 1/4885ALDH1A1 1813/4885

“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.