SCHEMBL3962907

SCHEMBL3962907

Cc1nc(C(N)=O)sc1C(C)(C)C.O=C(O)C1(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
MMP2 P08253 8/20 0.36
MMP13 P45452 8/20 0.36
MMP9 P14780 7/20 0.36
MMP3 P08254 6/20 0.36
MMP8 P22894 6/20 0.36
MMP14 P50281 6/20 0.36
MMP1 P03956 1/20 0.36
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.33
JAK2 O60674 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 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
SCHEMBL3961452 0.94 MMP2 (0.45) MMP2MMP13MMP9MMP3MMP8
SCHEMBL3962881 0.88 MAPT (0.39) MAPTALDH1A1GAALMNAMEN1
SCHEMBL3961456 0.82 MMP2 (0.46) MMP2MMP13MMP9MMP3MMP8
SCHEMBL1463767 0.79 MAPT (0.45) MAPTMMP2MMP13MMP9MMP3
SCHEMBL3962985 0.78 MLYCD (0.40) MAPTMMP2MMP13MMP9MMP3
SCHEMBL3967700 0.77 MMP2 (0.47) MAPTMMP2MMP13MMP9MMP3
SCHEMBL1464281 0.77 MMP2 (0.51) MAPTMMP2MMP13MMP9MMP3
SCHEMBL4078069 0.76 MAPT (0.41) MAPTALDH1A1GAALMNAMEN1
SCHEMBL1463749 0.75 MMP2 (0.42) MAPTMMP2MMP13MMP9MMP3
SCHEMBL3959480 0.74 P2RX7 (0.43) MAPTMMP2MMP13MMP9MMP3

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 disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO disclosed