SCHEMBL6129752

SCHEMBL6129752

COC(=O)[C@H](CC(C)C)N(Cc1ccccc1)S(N)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.53
MMP1 P03956 4/20 0.48
CA2 P00918 3/20 0.48
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
MMP8 P22894 2/20 0.48
CA1 P00915 1/20 0.48
MMP13 P45452 1/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MMP3 P08254 3/20 0.45
EPOR P19235 1/20 0.44
MMP7 P09237 1/20 0.44
TSHR P16473 1/20 0.43
HTT P42858 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
SCHEMBL6129751 1.00 ATM (0.53) ATMMMP1CA2MMP2MMP9
SCHEMBL56847 0.81 EPOR (0.52) ATMMMP1CA2MMP2MMP9
SCHEMBL55668 0.81 EPOR (0.52) ATMMMP1CA2MMP2MMP9
SCHEMBL55669 0.81 EPOR (0.52) ATMMMP1CA2MMP2MMP9
SCHEMBL28784090 0.80 MMP1 (0.50) ATMMMP1CA2MMP2MMP9
SCHEMBL28784089 0.80 MMP1 (0.50) ATMMMP1CA2MMP2MMP9
SCHEMBL24391645 0.75 TSHR (0.66) CA2MMP2MMP9MMP8CA1
SCHEMBL7360135 0.75 MMP1 (0.73) ATMMMP1CA2MMP2MMP9
SCHEMBL5139178 0.75 ATM (0.54) ATMMMP1MMP9MMP13NPSR1
SCHEMBL5139176 0.75 ATM (0.54) ATMMMP1MMP9MMP13NPSR1

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-1282694-A4 SULFAMIDE AND BIS-SULFAMIDE AMINO ACID DERIVATIVES AS INHIBITORS OF PROTEOLYTIC ENZYMES SUPERGEN INC (US) 2005-10-26 EP disclosed
EP-1282694-A1 SULFAMIDE AND BIS-SULFAMIDE AMINO ACID DERIVATIVES AS INHIBITORS OF PROTEOLYTIC ENZYMES Supergen, Inc. (US) 2003-02-12 EP disclosed
US-6495358-B1 OPEN SULFAMIDE STRUCTURE IS ANTICIPATED TO BE MORE STABLE CHEMICALLY THAN RELATED CLOSED RING STRUCTURES; SERINE AND CYSTEINE PROTEASES WICHITA STATE UNIVERSITY 2002-12-17 US disclosed
WO-2001081561-A1 SULFAMIDE AND BIS-SULFAMIDE AMINO ACID DERIVATIVES AS INHIBITORS OF PROTEOLYTIC ENZYMES SUPERGEN, INC. (US) 2001-11-01 WO disclosed