SCHEMBL1378048

SCHEMBL1378048

Cn1c(=O)n(CCC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C(=O)O)c(=O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.44
MMP2 P08253 9/20 0.44
MMP9 P14780 8/20 0.44
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP14 P50281 1/20 0.44
TNF P01375 1/20 0.43
MMP3 P08254 2/20 0.42
MMP13 P45452 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL1378393 0.95 MMP2 (0.48) ADAM17MMP2MMP9TNFMMP3
SCHEMBL5037000 0.90 TNF (0.42) ADAM17MMP2MMP9TNFMMP13
SCHEMBL1380247 0.88 MMP9 (0.54) MMP2MMP9MMP8MMP12MMP14
Hydroxyamine SCHEMBL7536560 0.86 MMP9 (0.55) MMP2MMP9MMP8MMP12MMP14
SCHEMBL1377157 0.83 MMP2 (0.52) MMP2MMP9MMP8MMP12MMP14
SCHEMBL1380422 0.81 MMP2 (0.54) MMP2MMP9MMP8MMP12MMP14
SCHEMBL1380421 0.81 MMP2 (0.54) MMP2MMP9MMP8MMP12MMP14
SCHEMBL1377913 0.80 MMP2 (0.53) ADAM17MMP2MMP9MMP14TNF
SCHEMBL1378051 0.79 ALDH1A1 (0.41) ADAM17MMP2MMP9MMP13KDM4E
SCHEMBL1380883 0.78 MMP2 (0.54) MMP2MMP9MMP8MMP12MMP14

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