SCHEMBL6572436

SCHEMBL6572436

COc1ccc(S(=O)(=O)N2CCC(Oc3ccc(-c4ccccc4)cc3)CC2)c(C(=O)NO)c1OC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.53
MMP13 P45452 6/20 0.53
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 1/20 0.44
MMP3 P08254 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ACLY P53396 1/20 0.43
USP5 P45974 1/20 0.42
MCHR1 Q99705 1/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL5898944 0.94 MMP2 (0.54) MMP2MMP13KMT2AALDH1A1SMN1; SMN2
SCHEMBL8361646 0.93 MMP2 (0.51) MMP2MMP13KMT2AALDH1A1SMN1; SMN2
SCHEMBL5898961 0.89 MMP2 (0.52) MMP2MMP13KMT2AALDH1A1SMN1; SMN2
SCHEMBL5898978 0.89 MMP13 (0.60) MMP2MMP13KMT2ASMN1; SMN2GAA
SCHEMBL5898993 0.89 MMP2 (0.49) MMP2MMP13KMT2AALDH1A1SMN1; SMN2
SCHEMBL8361686 0.88 MMP2 (0.47) MMP2MMP13KMT2AALDH1A1SMN1; SMN2
SCHEMBL5898959 0.88 MMP2 (0.48) MMP2MMP13KMT2AALDH1A1SMN1; SMN2
SCHEMBL5899028 0.88 MMP2 (0.55) MMP2MMP13KMT2AALDH1A1SMN1; SMN2
SCHEMBL8361708 0.87 MMP2 (0.52) MMP2MMP13KMT2ASMN1; SMN2MAPT
SCHEMBL5898986 0.86 MMP13 (0.69) MMP2MMP13KMT2AALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406602-A2 USE OF SULFONYL ARYL OR HETEROARYL HYDROXAMIC ACIDS AND DERIVATIVES THEREOF AS AGGRECANASE INHIBITORS Pharmacia Corporation (US) 2004-04-14 EP disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed
WO-2003007930-A2 USE OF SULFONYL ARYL OR HETEROARYL HYDROXAMIC ACIDS AND DERIVATIVES THEREOF AS AGGRECANASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed