SCHEMBL5789286

SCHEMBL5789286

CC(NS(=O)(=O)N(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
ADAMTS4 O75173 1/20 0.41
HTT P42858 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
CA14 Q9ULX7 1/20 0.35
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.32
PARP1 P09874 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL30447725 1.00 CA2 (0.42) CA2CA1ADAMTS4HTTMMP1
SCHEMBL5786805 0.84 ADAMTS4 (0.42) CA2CA1ADAMTS4HTTMMP1
SCHEMBL8746476 0.78 KDM4E (0.49) ADAMTS4MMP1MMP2MMP3MMP7
SCHEMBL8381845 0.78 KDM4E (0.49) ADAMTS4MMP1MMP2MMP3MMP7
SCHEMBL8381843 0.78 KDM4E (0.49) ADAMTS4MMP1MMP2MMP3MMP7
SCHEMBL5787485 0.75 TAS2R14 (0.40) CA2CA1ADAMTS4HTTMMP1
SCHEMBL5788834 0.74 ADAMTS4 (0.36) CA2CA1ADAMTS4HTTMMP1
SCHEMBL15251818 0.74 ALDH1A1 (0.48) CA2CA1MMP1MMP2MMP3
SCHEMBL5148621 0.73 ADAMTS4 (0.44) CA2CA1ADAMTS4HTTMMP1
SCHEMBL725182 0.73 ADAMTS4 (0.44) CA2CA1ADAMTS4HTTMMP1

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-1622867-A1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN ALPHA4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2006-02-08 EP claimed
WO-2004099126-A1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN α4 ANTAGONISTS ALMIRALL PRODESFARMA SA (ES) 2004-11-18 WO claimed
EP-1622867-A1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN ALPHA4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2006-02-08 EP disclosed
WO-2004099126-A1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN α4 ANTAGONISTS ALMIRALL PRODESFARMA SA (ES) 2004-11-18 WO disclosed
WO-2003066624-A1 PYRIMIDINONESULFAMOYLUREAS AS INTEGRIN LIGANDS ABBOTT GMBH & CO. KG (DE) 2003-08-14 WO disclosed