SCHEMBL6956280

SCHEMBL6956280

O=C(Nc1n[nH]c(=S)s1)N[C@@H](Cc1ccccc1)C(=O)NCCCO

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 20/20 0.78
MMP1 P03956 11/20 0.78
MMP2 P08253 1/20 0.73

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
SCHEMBL6950867 0.92 MMP3 (0.78) MMP3MMP1MMP2
SCHEMBL6956269 0.91 MMP3 (0.77) MMP3MMP1MMP2
SCHEMBL6951277 0.91 MMP3 (0.77) MMP3MMP1MMP2
SCHEMBL6954437 0.90 MMP3 (0.81) MMP3MMP1MMP2
SCHEMBL7341330 0.89 MMP3 (0.80) MMP3MMP1MMP2
SCHEMBL6951416 0.88 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL6956518 0.86 MMP3 (0.79) MMP3MMP1MMP2
SCHEMBL6953380 0.85 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL6954588 0.85 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL2679911 0.84 MMP3 (1.00) 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 6 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-A1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-03-10 EP claimed
WO-1997040031-A1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-10-30 WO 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