SCHEMBL6961003

SCHEMBL6961003

CC(C)(C)OC(=O)NC(Cc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 16/20 0.65
MMP1 P03956 10/20 0.65
MMP2 P08253 5/20 0.65
CTSS P25774 1/20 0.53
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MMP8 P22894 2/20 0.41
MMP9 P14780 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
SCHEMBL6960997 1.00 MMP3 (0.65) MMP3MMP1MMP2CTSSCA1
SCHEMBL8150209 0.84 MMP3 (0.71) MMP3MMP1MMP2CA1CA2
SCHEMBL8150208 0.84 MMP3 (0.71) MMP3MMP1MMP2CA1CA2
SCHEMBL7420574 0.83 MMP3 (0.62) MMP3MMP1MMP2CTSSCA1
SCHEMBL7420565 0.83 MMP3 (0.62) MMP3MMP1MMP2CTSSCA1
SCHEMBL6957813 0.77 MMP3 (0.46) MMP3MMP1MMP2CA1CA2
SCHEMBL6956792 0.75 MMP3 (0.59) MMP3MMP1MMP2MMP8MMP9
SCHEMBL6954440 0.75 MMP3 (0.57) MMP3MMP1MMP2MMP8MMP9
SCHEMBL6954436 0.75 MMP3 (0.57) MMP3MMP1MMP2MMP8MMP9
SCHEMBL6965221 0.74 CA1 (0.44) MMP3MMP1MMP2CA1CA2

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-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP claimed
EP-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP disclosed
US-5830869-A METALLOPROTEASE INHIBITOR PHARMACIA & UPJOHN COMPANY 1998-11-03 US disclosed