SCHEMBL5068449

SCHEMBL5068449

CS(=O)(=O)N1CCNCC1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.39
MMP9 P14780 4/20 0.39
MMP13 P45452 4/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
ADAM17 P78536 1/20 0.34
SLC6A1 P30531 2/20 0.32
SLC6A11 P48066 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
MMP2 P08253 1/20 0.32
ANPEP P15144 1/20 0.32
TP53 P04637 1/20 0.32
GHSR Q92847 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31
ADRB1 P08588 1/20 0.30

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
SCHEMBL4404075 0.86 MMP1 (0.39) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4474762 0.81 MMP1 (0.45) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4402268 0.79 MMP1 (0.43) MMP1MMP9MMP13MMP3MMP7
SCHEMBL17327489 0.75 ALDH1A1 (0.41) MMP13LMNAMMP2ANPEPTP53
SCHEMBL25154636 0.75 SLC6A1 (0.40) MMP1MMP9MMP13MMP3MMP7
Hydroxyamine SCHEMBL5894189 0.74 FKBP1A (0.40) MMP1MMP9MMP13MMP3MMP7
SCHEMBL12524260 0.73 SLC6A1 (0.36) MMP1MMP9MMP13MMP3MMP7
SCHEMBL2916820 0.73 SLC6A1 (0.36) MMP1MMP9MMP13MMP3MMP7
SCHEMBL697598 0.73 POLB (0.50) MMP13LMNAALDH1A1HTTPOLB
SCHEMBL3153775 0.73 POLB (0.50) MMP13LMNAALDH1A1HTTPOLB

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-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO claimed
EP-2920183-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS Glaxosmithkline LLC (US) 2015-09-23 EP disclosed
WO-2014078257-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-05-22 WO disclosed
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed