SCHEMBL6962508

SCHEMBL6962508

O=C(NC(CCc1ccccc1)C(=O)Nc1n[nH]c(=S)s1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 14/20 0.55
MMP1 P03956 5/20 0.55
GLS O94925 2/20 0.53
MMP2 P08253 1/20 0.52
CTSL P07711 1/20 0.50
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 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
SCHEMBL6962504 1.00 MMP3 (0.55) MMP3MMP1GLSMMP2CTSL
SCHEMBL6958535 0.91 MMP3 (0.57) MMP3MMP1GLSMMP2CTSL
SCHEMBL6958538 0.91 MMP3 (0.57) MMP3MMP1GLSMMP2CTSL
SCHEMBL6964276 0.90 MMP3 (0.65) MMP3MMP1MMP2
SCHEMBL6964283 0.90 MMP3 (0.65) MMP3MMP1MMP2
SCHEMBL6966791 0.89 CTSL (0.57) MMP3MMP1MMP2CTSL
SCHEMBL8709618 0.89 SIRT5 (0.54) MMP3MMP1HDAC3HDAC4HDAC1
SCHEMBL6962672 0.89 SIRT5 (0.54) MMP3MMP1HDAC3HDAC4HDAC1
SCHEMBL6968594 0.88 MMP3 (0.71) MMP3MMP1GLSMMP2CTSL
SCHEMBL6967513 0.88 SIRT2 (0.60) MMP3MMP1CTSL

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 7 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
US-5830869-A METALLOPROTEASE INHIBITOR PHARMACIA & UPJOHN COMPANY 1998-11-03 US disclosed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO disclosed