SCHEMBL6958538

SCHEMBL6958538

CCCC(NC(=O)OCc1ccccc1)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 10/20 0.57
MMP1 P03956 4/20 0.57
MMP2 P08253 1/20 0.54
CTSK P43235 1/20 0.53
GLS O94925 1/20 0.50
SIRT2 Q8IXJ6 5/20 0.49
SIRT1 Q96EB6 4/20 0.49
SIRT3 Q9NTG7 3/20 0.49
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49

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
SCHEMBL6958535 1.00 MMP3 (0.57) MMP3MMP1MMP2CTSKGLS
SCHEMBL6966791 0.94 CTSL (0.57) MMP3MMP1MMP2SIRT2SIRT1
SCHEMBL6967513 0.93 SIRT2 (0.60) MMP3MMP1SIRT2SIRT1SIRT3
SCHEMBL6962508 0.91 MMP3 (0.55) MMP3MMP1MMP2GLSCTSL
SCHEMBL6962504 0.91 MMP3 (0.55) MMP3MMP1MMP2GLSCTSL
SCHEMBL6964283 0.89 MMP3 (0.65) MMP3MMP1MMP2
SCHEMBL6964276 0.89 MMP3 (0.65) MMP3MMP1MMP2
SCHEMBL6961631 0.88 CTSK (0.59) MMP3MMP1MMP2CTSKCTSL
SCHEMBL6961636 0.88 CTSK (0.59) MMP3MMP1MMP2CTSKCTSL
SCHEMBL8709618 0.88 SIRT5 (0.54) MMP3MMP1SIRT2SIRT1SIRT3

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-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP claimed
EP-1021424-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-26 EP claimed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO claimed
EP-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP disclosed
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