SCHEMBL3963148

SCHEMBL3963148

Cc1nc(NC(=O)C(C)(C)S(=O)(=O)c2ccc3ccccc3c2)sc1C(C)(C)C.O=C(O)C1(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.44
CNR1 P21554 6/20 0.44
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.34
RORC P51449 1/20 0.34
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
PIK3CD O00329 2/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
USP2 O75604 1/20 0.32
USP8 P40818 1/20 0.32
MMP2 P08253 2/20 0.32
MMP3 P08254 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32

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
SCHEMBL3959680 0.87 CNR2 (0.38) CNR2CNR1MAPTUSP2USP8
SCHEMBL12096426 0.84 CNR2 (0.49) CNR2CNR1ALDH1A1LMNAGAA
SCHEMBL1464726 0.83 ALDH1A1 (0.50) CNR2CNR1ALDH1A1LMNAGAA
SCHEMBL1463749 0.81 MMP2 (0.42) ALDH1A1LMNAGAAMAPTPIK3CD
SCHEMBL1464456 0.80 CNR2 (0.54) CNR2CNR1ALDH1A1LMNAGAA
SCHEMBL1463767 0.78 MAPT (0.45) ALDH1A1LMNAGAAMAPTMMP2
SCHEMBL1465580 0.77 CNR2 (0.49) CNR2CNR1ALDH1A1LMNAGAA
SCHEMBL1464185 0.75 LMNA (0.54) CNR2CNR1ALDH1A1LMNAGAA
SCHEMBL1464232 0.74 GAA (0.62) CNR2CNR1ALDH1A1LMNAGAA
SCHEMBL1465275 0.74 MMP2 (0.54) ALDH1A1LMNAGAAMAPTMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP claimed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO claimed
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO disclosed