SCHEMBL7360710

SCHEMBL7360710

O=C(N[C@@H](Cc1ccccc1F)C(=O)Nc1n[nH]c(=S)s1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 15/20 0.53
MMP1 P03956 10/20 0.53
MMP2 P08253 4/20 0.53
MMP8 P22894 3/20 0.48
MMP9 P14780 2/20 0.48
GLS O94925 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
SCHEMBL6964283 0.90 MMP3 (0.65) MMP3MMP1MMP2MMP8MMP9
SCHEMBL6964276 0.90 MMP3 (0.65) MMP3MMP1MMP2MMP8MMP9
SCHEMBL6962508 0.86 MMP3 (0.55) MMP3MMP1MMP2GLS
SCHEMBL6962504 0.86 MMP3 (0.55) MMP3MMP1MMP2GLS
SCHEMBL6968594 0.84 MMP3 (0.71) MMP3MMP1MMP2MMP8MMP9
SCHEMBL6958535 0.83 MMP3 (0.57) MMP3MMP1MMP2GLS
SCHEMBL6958538 0.83 MMP3 (0.57) MMP3MMP1MMP2GLS
SCHEMBL6961636 0.83 CTSK (0.59) MMP3MMP1MMP2
SCHEMBL6961631 0.83 CTSK (0.59) MMP3MMP1MMP2
SCHEMBL7357677 0.83 MMP1 (0.68) MMP3MMP1MMP2MMP8MMP9

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
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 EP disclosed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 US disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 WO disclosed