SCHEMBL1376946

SCHEMBL1376946

O=C(O)[C@@H](CCCN1C(=O)c2ccccc2S1(=O)=O)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
HPGD P15428 2/20 0.50
TSHR P16473 1/20 0.50
MMP2 P08253 6/20 0.45
MMP9 P14780 4/20 0.45
MMP3 P08254 3/20 0.45
MMP13 P45452 3/20 0.45
CA9 Q16790 6/20 0.44
CA12 O43570 5/20 0.44
CA1 P00915 2/20 0.44
NPC1 O15118 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
MMP8 P22894 1/20 0.42
MMP12 P39900 1/20 0.42
MMP14 P50281 1/20 0.42
CA2 P00918 2/20 0.42
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL1380169 0.95 MMP2 (0.48) HPGDMMP2MMP9MMP3MMP13
SCHEMBL1376755 0.91 KMT2A (0.47) HPGDMMP2MMP9MMP3MMP13
SCHEMBL1380239 0.91 MMP2 (0.45) RAB9AHPGDTSHRMMP2MMP9
Hydroxyamine SCHEMBL7481959 0.89 MMP2 (0.44) HPGDMMP2MMP9MMP3MMP13
SCHEMBL1381142 0.86 MMP2 (0.41) HPGDTSHRMMP2MMP9MMP3
Hydroxyamine SCHEMBL1380759 0.84 MMP2 (0.40) HPGDTSHRMMP2MMP9MMP3
SCHEMBL5036997 0.84 MMP13 (0.44) HPGDMMP2MMP9MMP3MMP13
SCHEMBL1376858 0.83 MMP2 (0.53) MMP2MMP9MMP3MMP13CA9
SCHEMBL1378426 0.83 MMP2 (0.50) MMP2MMP9MMP3MMP13CA9
SCHEMBL5031626 0.82 MMP2 (0.49) MMP2MMP9MMP3MMP13CA9

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