SCHEMBL6957803

SCHEMBL6957803

CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 15/20 0.55
MMP1 P03956 8/20 0.55
MMP2 P08253 4/20 0.52
MMP9 P14780 3/20 0.47
MMP8 P22894 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL6957808 1.00 MMP3 (0.55) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6968692 0.87 MMP3 (0.56) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6968687 0.87 MMP3 (0.56) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6960953 0.86 MMP3 (0.48) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6962615 0.84 MMP3 (0.53) MMP3MMP1MMP2KDM4EALDH1A1
SCHEMBL6964283 0.84 MMP3 (0.65) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6958491 0.84 MMP3 (0.58) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6958497 0.84 MMP3 (0.58) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6964276 0.84 MMP3 (0.65) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6958535 0.83 MMP3 (0.57) MMP3MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP claimed
EP-1021424-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-26 EP claimed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO claimed
EP-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP disclosed
EP-1021424-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-26 EP disclosed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO disclosed