SCHEMBL941602

SCHEMBL941602

CC(C)(C)OC(=O)N1CCC(CC2(CS(=O)(=O)N3CCC(Oc4ccc(Cl)cn4)CC3)NC(=O)NC2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.49
ADAM17 P78536 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
GPR119 Q8TDV5 4/20 0.47
MMP12 P39900 5/20 0.47
MMP1 P03956 1/20 0.42
MMP14 P50281 6/20 0.42
FPR2 P25090 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNB3 P54284 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNG7 P62955 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1D Q01668 1/20 0.40

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
SCHEMBL941217 0.87 GPR119 (0.49) MMP13GPR119MMP12MMP1MMP14
Hydrochloric Acid SCHEMBL6803226 0.86 GPR119 (0.48) MMP13GPR119MMP12MMP1MMP14
SCHEMBL942639 0.84 MMP13 (0.51) MMP13MMP12MMP1MMP14FPR2
Trifluoroacetic Acid SCHEMBL941448 0.83 MMP13 (0.46) MMP13MMP12MMP1MMP14
SCHEMBL940675 0.82 MMP13 (0.44) MMP13ADAM17ADAMTS5MMP12MMP1
SCHEMBL941666 0.82 MMP13 (0.55) MMP13MMP12MMP1MMP14FPR2
SCHEMBL943704 0.80 MMP13 (0.54) MMP13MMP12MMP1MMP14FPR2
SCHEMBL942174 0.80 GPR119 (0.54) GPR119MMP1FPR2PROKR1CACNB4
SCHEMBL940856 0.80 MMP13 (0.53) MMP13MMP12MMP1MMP14FPR2
SCHEMBL2775134 0.78 GPR119 (0.66) GPR119MMP1FPR2PROKR1CACNB4

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-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
US-20040127528-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-01 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 MMP13 12/4885ADAM17 26/4885ADAMTS5 24/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MMP13 12/4885ADAM17 26/4885ADAMTS5 24/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 MMP13 10/4885ADAM17 24/4885ADAMTS5 26/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 MMP13 19/4885ADAM17 23/4885ADAMTS5 48/4885

“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.