SCHEMBL6964033

SCHEMBL6964033

O=C(NCC(Cc1ccccc1)C(=O)Nc1n[nH]c(=S)s1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 19/20 0.55
MMP1 P03956 9/20 0.55
MMP2 P08253 2/20 0.52
MMP9 P14780 1/20 0.47
MMP8 P22894 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
SCHEMBL8710957 0.86 MMP3 (0.52) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6964666 0.86 MMP3 (0.53) MMP3MMP1MMP2
SCHEMBL6964276 0.84 MMP3 (0.65) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6964283 0.84 MMP3 (0.65) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6968687 0.81 MMP3 (0.56) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6968692 0.81 MMP3 (0.56) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6955192 0.80 MMP3 (0.71) MMP3MMP1MMP2
SCHEMBL7361337 0.79 MMP3 (0.64) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7361333 0.79 MMP3 (0.64) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6961636 0.79 CTSK (0.59) 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 7 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
US-5830869-A METALLOPROTEASE INHIBITOR PHARMACIA & UPJOHN COMPANY 1998-11-03 US disclosed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO disclosed