SCHEMBL1380239

SCHEMBL1380239

O=C(O)[C@@H](CCCN1C(=O)c2ccccc2S1(=O)=O)NS(=O)(=O)c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.45
MMP13 P45452 4/20 0.45
MMP9 P14780 4/20 0.45
MMP3 P08254 3/20 0.45
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
CA9 Q16790 4/20 0.41
CA12 O43570 3/20 0.41
CA2 P00918 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ACHE P22303 1/20 0.39
MMP8 P22894 1/20 0.39
ADAMTS4 O75173 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 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
Hydroxyamine SCHEMBL7481959 0.98 MMP2 (0.44) MMP2MMP13MMP9MMP3HDAC1
SCHEMBL1380169 0.94 MMP2 (0.48) MMP2MMP13MMP9MMP3HDAC1
SCHEMBL5031626 0.92 MMP2 (0.49) MMP2MMP13MMP9MMP3HDAC1
SCHEMBL1376755 0.91 KMT2A (0.47) MMP2MMP13MMP9MMP3HDAC1
SCHEMBL1376946 0.91 RAB9A (0.50) MMP2MMP13MMP9MMP3HDAC1
SCHEMBL1381142 0.90 MMP2 (0.41) MMP2MMP13MMP9MMP3HDAC1
Hydroxyamine SCHEMBL1380759 0.88 MMP2 (0.40) MMP2MMP13MMP9MMP3HDAC1
SCHEMBL7956109 0.85 MMP2 (0.51) MMP2MMP13MMP9MMP3MMP8
SCHEMBL5036997 0.83 MMP13 (0.44) MMP2MMP13MMP9MMP3HDAC1
SCHEMBL5034666 0.83 MMP2 (0.45) MMP2MMP13MMP9MMP3HDAC1

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