SCHEMBL3967650

SCHEMBL3967650

CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)[nH]n1.O=C(O)C1(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.50
CNR1 P21554 4/20 0.45
MMP2 P08253 6/20 0.44
MMP13 P45452 6/20 0.44
MMP3 P08254 5/20 0.44
MMP9 P14780 5/20 0.44
MMP8 P22894 5/20 0.44
MMP14 P50281 4/20 0.44
MMP1 P03956 2/20 0.44
MMP7 P09237 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL1464542 0.79 CNR2 (0.62) CNR2CNR1MAPT
SCHEMBL3967653 0.76 MMP13 (0.40) CNR2CNR1MMP2MMP13MMP3
SCHEMBL1463607 0.74 ATM (0.55) MMP13MMP9MMP1MAPT
SCHEMBL1464356 0.74 MMP2 (0.65) MMP2MMP13MMP3MMP9MMP8
SCHEMBL3968259 0.72 CNR2 (0.51) CNR2CNR1MAPT
SCHEMBL1464683 0.71 CNR2 (0.46) CNR2CNR1
SCHEMBL3964901 0.71 CNR2 (0.52) CNR2CNR1MAPT
SCHEMBL3967702 0.70 MMP13 (0.51) MMP2MMP13MMP3MMP9MMP8
SCHEMBL3964990 0.69 MMP2 (0.48) CNR2CNR1MMP2MMP13MMP3
SCHEMBL3968969 0.69 ATM (0.41) MAPT

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 2 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