SCHEMBL8150209

SCHEMBL8150209

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

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 16/20 0.71
MMP1 P03956 10/20 0.71
MMP2 P08253 6/20 0.71
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MMP8 P22894 3/20 0.44
MMP9 P14780 2/20 0.44

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
SCHEMBL8150208 1.00 MMP3 (0.71) MMP3MMP1MMP2CA1CA2
SCHEMBL6960997 0.84 MMP3 (0.65) MMP3MMP1MMP2CA1CA2
SCHEMBL6956792 0.83 MMP3 (0.59) MMP3MMP1MMP2MMP8MMP9
SCHEMBL6963762 0.74 MMP3 (0.72) MMP3MMP1MMP2CA1CA2
SCHEMBL6957936 0.73 MMP3 (0.53) MMP3MMP1MMP2
SCHEMBL6961609 0.73 MMP3 (0.53) MMP3MMP1MMP2
SCHEMBL6958493 0.71 MMP3 (0.69) MMP3MMP1MMP2MMP8MMP9
SCHEMBL6958185 0.71 MMP3 (0.69) MMP3MMP1MMP2MMP8MMP9
SCHEMBL6957197 0.71 MMP3 (0.53) MMP3MMP1MMP2CA1CA2
SCHEMBL6957782 0.69 MMP3 (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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