SCHEMBL352428

SCHEMBL352428

CC(C)(C)c1cc(C(=O)COC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)no1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.58
CNR1 P21554 3/20 0.58
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SCD O00767 1/20 0.35
SCD5 Q86SK9 1/20 0.35

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
SCHEMBL353275 0.75 CNR2 (0.57) CNR2CNR1MAPT
SCHEMBL469406 0.74 CNR2 (1.00) CNR2CNR1MAPTHTTATM
SCHEMBL469434 0.73 ABCB11 (0.55) CNR2CNR1MAPTHTTGAA
SCHEMBL3962734 0.70 CNR2 (0.91) CNR2CNR1SMN1; SMN2MAPTHTT
SCHEMBL15121174 0.69 CNR2 (0.63) CNR2CNR1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL349736 0.68 CNR2 (0.52) CNR2CNR1ALDH1A1
SCHEMBL3874355 0.67 EGFR (0.59) ALDH1A1MAPK1SMN1; SMN2MAPTHTT
SCHEMBL10644288 0.67 CNR2 (0.43) CNR2CNR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1807873 0.67 CNR2 (0.49) CNR2CNR1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1788099 0.67 CNR2 (0.72) CNR2CNR1ALDH1A1MAPK1SMN1; SMN2

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 CNR2 1/4885CNR1 2/4885ALDH1A1 2844/4885

“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.