SCHEMBL941706

SCHEMBL941706

O=C1NC(=O)C(CCN2CCOCC2)(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)N1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.47
MMP12 P39900 5/20 0.47
FPR2 P25090 1/20 0.43
PROKR1 Q8TCW9 1/20 0.43
MMP14 P50281 10/20 0.41
MMP1 P03956 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL943119 0.89 MMP13 (0.41) MMP13MMP12FPR2PROKR1MMP14
SCHEMBL942639 0.87 MMP13 (0.51) MMP13MMP12FPR2PROKR1MMP14
SCHEMBL943704 0.87 MMP13 (0.54) MMP13MMP12FPR2PROKR1MMP14
SCHEMBL941666 0.85 MMP13 (0.55) MMP13MMP12FPR2PROKR1MMP14
SCHEMBL941944 0.84 MMP13 (0.49) MMP13MMP12FPR2PROKR1MMP14
SCHEMBL942210 0.84 MMP13 (0.49) MMP13MMP12FPR2PROKR1MMP14
SCHEMBL942636 0.84 MMP13 (0.46) MMP13MMP12FPR2PROKR1MMP14
SCHEMBL940657 0.84 MMP13 (0.50) MMP13MMP12FPR2PROKR1MMP14
SCHEMBL940856 0.82 MMP13 (0.53) MMP13MMP12FPR2PROKR1MMP14
SCHEMBL941012 0.82 MMP13 (0.49) MMP13MMP12FPR2PROKR1MMP14

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 8 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-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 MMP13 12/4885MMP12 2/4885FPR2 737/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MMP13 12/4885MMP12 2/4885FPR2 737/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MMP13 12/4885MMP12 2/4885FPR2 737/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 MMP13 19/4885MMP12 1/4885FPR2 1887/4885

“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.