SCHEMBL5031585

SCHEMBL5031585

O=C(OCc1ccccc1)[C@@H](CC(=O)N1CCOCC1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADAM33 Q9BZ11 1/20 0.46
ADAMTS4 O75173 2/20 0.45
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44
MMP13 P45452 4/20 0.44
MMP2 P08253 4/20 0.44
MMP3 P08254 2/20 0.44
GAA P10253 1/20 0.43
MMP9 P14780 2/20 0.43
PKM P14618 1/20 0.43
MMP8 P22894 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1380370 0.88 MMP2 (0.53) SMN1; SMN2ALDH1A1KDM4EHTTKMT2A
SCHEMBL1376078 0.85 MMP13 (0.56) SMN1; SMN2ALDH1A1KDM4EHTTKMT2A
SCHEMBL30461756 0.78 MEN1 (0.56) SMN1; SMN2ALDH1A1KDM4EHTTKMT2A
SCHEMBL30461745 0.78 MEN1 (0.56) SMN1; SMN2ALDH1A1KDM4EHTTKMT2A
SCHEMBL30461742 0.76 MEN1 (0.54) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL30461760 0.75 KMT2A (0.53) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6723629 0.73 MMP2 (0.56) ADAMTS4LMNAMMP13MMP2MMP3
SCHEMBL22500424 0.73 MEN1 (0.69) SMN1; SMN2ALDH1A1KMT2AMEN1ADAM33
SCHEMBL22500423 0.73 MEN1 (0.69) SMN1; SMN2ALDH1A1KMT2AMEN1ADAM33
SCHEMBL5031605 0.73 KLK7 (0.51) KMT2AMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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