SCHEMBL1378426

SCHEMBL1378426

O=C(NO)[C@@H](CCCN1C(=O)c2ccccc2S1(=O)=O)NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.50
MMP9 P14780 5/20 0.50
MMP13 P45452 2/20 0.50
MMP3 P08254 1/20 0.50
MMP1 P03956 3/20 0.49
MMP14 P50281 3/20 0.49
ADAM17 P78536 3/20 0.49
ADAM10 O14672 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
BMP1 P13497 3/20 0.46
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CA2 P00918 1/20 0.45
LMNA P02545 1/20 0.45
DRD2 P14416 3/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL1379757 0.92 MMP2 (0.52) MMP2MMP9MMP13MMP3MMP1
SCHEMBL1376755 0.92 KMT2A (0.47) MMP2MMP9MMP13MMP3MEN1
SCHEMBL5031626 0.91 MMP2 (0.49) MMP2MMP9MMP13MMP3MMP1
SCHEMBL1380169 0.86 MMP2 (0.48) MMP2MMP9MMP13MMP3KMT2A
SCHEMBL5034666 0.85 MMP2 (0.45) MMP2MMP9MMP13MMP3MMP1
SCHEMBL7954067 0.85 MMP2 (0.64) MMP2MMP9MMP13MMP3MMP1
SCHEMBL1376858 0.84 MMP2 (0.53) MMP2MMP9MMP13MMP3MEN1
SCHEMBL1376946 0.83 RAB9A (0.50) MMP2MMP9MMP13MMP3MMP14
SCHEMBL1380239 0.82 MMP2 (0.45) MMP2MMP9MMP13MMP3KMT2A
SCHEMBL1377888 0.82 ALDH1A1 (0.56) MMP2MMP9MMP13MMP3MMP1

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 11 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
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