SCHEMBL940649

SCHEMBL940649

CC1(C[S+]([O-])c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)NC(=O)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.46
MMP9 P14780 7/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 4/20 0.45
MMP14 P50281 2/20 0.45
MMP12 P39900 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SCN9A Q15858 1/20 0.39
KCNH2 Q12809 1/20 0.37
NOTUM Q6P988 1/20 0.36
MMP1 P03956 5/20 0.36
GRM2 Q14416 1/20 0.35
MMP3 P08254 2/20 0.35
KIF11 P52732 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7119897 0.92 MMP9 (0.41) MMP2MMP9MMP8MMP13MMP14
SCHEMBL14085484 0.81 ALDH1A1 (0.46) MMP2MMP9MMP8MMP13MMP14
SCHEMBL941821 0.77 MMP2 (0.49) MMP2MMP9MMP8MMP13MMP14
SCHEMBL12378830 0.76 ADAMTS5 (0.42) MMP2MMP13MMP14MMP12SMN1; SMN2
SCHEMBL12416111 0.76 SMN1; SMN2 (0.40) MMP2MMP9MMP13MMP14MMP12
SCHEMBL23366966 0.71 ADAMTS7 (0.53) MMP2MMP9MMP8MMP13MMP14
SCHEMBL12378668 0.71 ALDH1A1 (0.43) MMP2MMP13MMP14SMN1; SMN2NPSR1
SCHEMBL542485 0.67 LMNA (0.55) MMP2MMP9MMP8MMP13MMP14
SCHEMBL514998 0.65 MAPT (0.40) KIF11ALDH1A1
SCHEMBL2971744 0.63 SMN1; SMN2 (0.39) MMP2MMP13MMP12SMN1; SMN2NPSR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-20080306065-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-7427631-B2 especially as inhibitors of MMP12 ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
EP-1370556-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-07-19 EP disclosed
EP-1676846-A2 Hydantoin derivatives as MMP inhibitors AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110003853-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MMP2 15/4885MMP9 1/4885MMP8 19/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MMP2 15/4885MMP9 1/4885MMP8 19/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MMP2 15/4885MMP9 1/4885MMP8 19/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 MMP2 11/4885MMP9 8/4885MMP8 36/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.