SCHEMBL3967700

SCHEMBL3967700

CC(C)(C)c1csc(C(N)=O)n1.O=C(O)C1(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.47
MMP13 P45452 15/20 0.47
MMP9 P14780 12/20 0.47
MMP3 P08254 9/20 0.47
MMP8 P22894 9/20 0.47
MMP14 P50281 9/20 0.47
MMP1 P03956 5/20 0.47
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
PHGDH O43175 1/20 0.36
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL3967702 0.89 MMP13 (0.51) MMP2MMP13MMP9MMP3MMP8
SCHEMBL3961452 0.84 MMP2 (0.45) MMP2MMP13MMP9MMP3MMP8
SCHEMBL1464356 0.81 MMP2 (0.65) MMP2MMP13MMP9MMP3MMP8
SCHEMBL3963604 0.81 MAPT (0.43) MAPT
SCHEMBL1464643 0.80 MMP2 (0.57) MMP2MMP13MMP9MMP3MMP8
SCHEMBL3964989 0.79 MMP2 (0.47) MMP2MMP13MMP9MMP3MMP8
SCHEMBL3961456 0.79 MMP2 (0.46) MMP2MMP13MMP9MMP3MMP8
SCHEMBL3962907 0.77 MAPT (0.37) MMP2MMP13MMP9MMP3MMP8
SCHEMBL3964990 0.76 MMP2 (0.48) MMP2MMP13MMP9MMP3MMP8
SCHEMBL3962985 0.75 MLYCD (0.40) MMP2MMP13MMP9MMP3MMP8

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