SCHEMBL6588744

SCHEMBL6588744

COC(=O)[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.51
CA14 Q9ULX7 3/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ITGB3 P05106 2/20 0.42
ITGB1 P05556 2/20 0.42
ITGAV P06756 2/20 0.42
ITGA5 P08648 2/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 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
SCHEMBL6774113 1.00 CA12 (0.51) CA12CA14CA7CA9SLC1A3
SCHEMBL6589048 0.82 MMP13 (0.48) CA12CA14CA7CA9MMP1
SCHEMBL6769979 0.82 MMP13 (0.48) CA12CA14CA7CA9MMP1
SCHEMBL6588625 0.78 ADAMTS4 (0.53) CA12CA14CA7CA9MMP1
SCHEMBL2993430 0.77 ALDH1A1 (0.44) CA12CA7CA9SLC1A3SLC1A2
SCHEMBL1110930 0.75 MMP2 (0.75) MMP1MMP2MMP3MMP7MMP9
SCHEMBL1110927 0.75 MMP2 (0.75) MMP1MMP2MMP3MMP7MMP9
SCHEMBL3607214 0.75 MMP2 (0.75) MMP1MMP2MMP3MMP7MMP9
SCHEMBL3124306 0.73 ITGB1 (0.59) CA12CA14CA7CA9MMP1
SCHEMBL15910015 0.72 ALDH1A1 (0.54) CA12CA14CA7CA9ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169338-B1 LOW-MOLECULAR INHIBITORS OF COMPLEMENT PROTEASES ABBOTT GMBH & CO KG (DE) 2004-11-03 EP disclosed
US-6683055-B1 GUANIDINE OR AMIDINE TERMINED PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
EP-1169338-A2 LOW-MOLECULAR INHIBITORS OF COMPLEMENT PROTEASES BASF AKTIENGESELLSCHAFT (DE) 2002-01-09 EP disclosed
WO-2000061608-A2 LOW-MOLECULAR INHIBITORS OF COMPLEMENT PROTEASES BASF AKTIENGESELLSCHAFT (DE) 2000-10-19 WO disclosed