SCHEMBL1380370

SCHEMBL1380370

O=C(O)[C@@H](CC(=O)N1CCOCC1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.53
MMP13 P45452 5/20 0.53
MMP3 P08254 4/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MMP1 P03956 1/20 0.50
MMP9 P14780 2/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AIMP2 Q13155 1/20 0.47
ADAMTS4 O75173 1/20 0.47

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
SCHEMBL1376078 0.91 MMP13 (0.56) MMP2MMP13MMP3ALDH1A1KDM4E
SCHEMBL5031585 0.88 SMN1; SMN2 (0.52) MMP2MMP13MMP3ALDH1A1KDM4E
SCHEMBL1377200 0.82 MMP2 (0.56) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7506682 0.78 MMP2 (0.87) MMP2MMP13MMP3MMP1MMP9
SCHEMBL10058288 0.77 TMPRSS11D (0.54) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL8517039 0.76 MMP2 (0.71) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7250745 0.76 MMP13 (0.76) MMP2MMP13MMP3MMP1MMP9
SCHEMBL3875831 0.75 MMP13 (0.54) MMP2MMP13MMP3ALDH1A1MMP1
SCHEMBL8493228 0.74 MMP2 (0.65) MMP2MMP13MMP3MMP1MMP9
SCHEMBL14602228 0.74 MMP2 (0.65) MMP2MMP13MMP3MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4750272-B2 2011-08-17 JP claimed
EP-1918278-A1 Sulfonylamino derivatives which inhibit matrix-degrading metalloproteinases Novartis AG (CH) 2008-05-07 EP claimed
US-6277987-B1 FOR INHIBITING MATRIX-DEGRADING METALLOPROTEINASES IN MAMMALS NOVARTIS AG (CH) 2001-08-21 US claimed
EP-1053226-A1 SULFONYLAMINO DERIVATIVES WHICH INHIBIT MATRIX-DEGRADING METALLOPROTEINASES Novartis AG (CH) 2000-11-22 EP claimed
WO-1999042443-A1 SULFONYLAMINO DERIVATIVES WHICH INHIBIT MATRIX-DEGRADING METALLOPROTEINASES NOVARTIS AG (CH) 1999-08-26 WO claimed
EP-1918278-A1 Sulfonylamino derivatives which inhibit matrix-degrading metalloproteinases Novartis AG (CH) 2008-05-07 EP disclosed
US-6410580-B1 ANTIINFLAMMATORY AGENTS, RHEUMATIC DISEASES NOVARTIS AG (CH) 2002-06-25 US disclosed
US-6277987-B1 FOR INHIBITING MATRIX-DEGRADING METALLOPROTEINASES IN MAMMALS NOVARTIS AG (CH) 2001-08-21 US disclosed
EP-1053226-A1 SULFONYLAMINO DERIVATIVES WHICH INHIBIT MATRIX-DEGRADING METALLOPROTEINASES Novartis AG (CH) 2000-11-22 EP disclosed
WO-1999042443-A1 SULFONYLAMINO DERIVATIVES WHICH INHIBIT MATRIX-DEGRADING METALLOPROTEINASES NOVARTIS AG (CH) 1999-08-26 WO disclosed