SCHEMBL6952076

SCHEMBL6952076

CC(C)C[C@H](NC(=O)Nc1n[nH]c(=S)s1)C(=O)NCCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 19/20 0.69
MMP1 P03956 8/20 0.65
MMP2 P08253 1/20 0.63
ANPEP P15144 1/20 0.56

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
SCHEMBL6952082 1.00 MMP3 (0.69) MMP3MMP1MMP2ANPEP
SCHEMBL6952227 0.90 MMP3 (0.80) MMP3MMP1MMP2ANPEP
SCHEMBL6952224 0.90 MMP3 (0.80) MMP3MMP1MMP2ANPEP
SCHEMBL6954437 0.89 MMP3 (0.81) MMP3MMP1MMP2
SCHEMBL6950867 0.83 MMP3 (0.78) MMP3MMP1MMP2
SCHEMBL6951277 0.83 MMP3 (0.77) MMP3MMP1MMP2
SCHEMBL6952470 0.83 MMP3 (0.72) MMP3MMP1MMP2
SCHEMBL6961405 0.82 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL6955091 0.81 MMP3 (0.73) MMP3MMP1MMP2
SCHEMBL6956269 0.81 MMP3 (0.77) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900211-B1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS UPJOHN CO (US) 2003-07-02 EP claimed
EP-0900211-B1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS UPJOHN CO (US) 2003-07-02 EP disclosed
EP-0900211-A1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-03-10 EP disclosed
WO-1997040031-A1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-10-30 WO disclosed