SCHEMBL7444546

SCHEMBL7444546

COc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)O)C(C)C)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.52
ADAMTS4 O75173 2/20 0.52
MME P08473 4/20 0.51
ACE P12821 3/20 0.51
CPA1 P15085 2/20 0.51
ACE2 Q9BYF1 2/20 0.51
CA2 P00918 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
FPR2 P25090 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
ADAM17 P78536 1/20 0.45
F2 P00734 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL7916012 0.92 MME (0.58) MMP13ADAMTS4MMEACECPA1
SCHEMBL7514233 0.82 MME (0.49) MMP13ADAMTS4MMEACECPA1
SCHEMBL7447456 0.79 MME (0.56) MMP13MMEACECPA1ACE2
SCHEMBL7453286 0.78 PDE4D (0.55) MMEACECPA1ACE2CA2
SCHEMBL7405654 0.75 SLC1A3 (0.60) MMP13ADAMTS4MMP1MMP9ADAM17
SCHEMBL1656194 0.75 ADAMTS4 (0.78) MMP13ADAMTS4
SCHEMBL8283969 0.75 ADAMTS4 (0.78) MMP13ADAMTS4
SCHEMBL8389137 0.74 MMP2 (0.69) MMP13ADAMTS4ITGB3MMP1MMP9
SCHEMBL8647491 0.74 MMP2 (0.69) MMP13ADAMTS4ITGB3MMP1MMP9
SCHEMBL7451514 0.73 ITGB3 (0.55) ADAMTS4ITGB3ITGAVFPR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998282-A4 SULFONAMIDES AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2000-08-30 EP claimed
EP-0998282-A1 SULFONAMIDES AS CELL ADHESION INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-05-10 EP claimed
WO-1998053818-A1 SULFONAMIDES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO claimed