SCHEMBL942669

SCHEMBL942669

Cc1ccc(C#CC2=CCN(S(=O)(=O)C[C@@]3(C)NC(=O)NC3=O)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.44
MMP14 P50281 10/20 0.44
MMP12 P39900 5/20 0.44

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
SCHEMBL6835855 1.00 MMP13 (0.44) MMP13MMP14MMP12
SCHEMBL940852 0.91 MMP13 (0.53) MMP13MMP14MMP12
SCHEMBL2289321 0.86 MMP13 (0.43) MMP13MMP14MMP12
SCHEMBL5241113 0.86 MMP13 (0.43) MMP13MMP14MMP12
SCHEMBL5097147 0.85 MMP13 (0.44) MMP13MMP14MMP12
SCHEMBL8143638 0.85 MMP13 (0.41) MMP13MMP14MMP12
SCHEMBL5103259 0.84 MMP13 (0.48) MMP13MMP14MMP12
SCHEMBL5090731 0.84 MMP13 (0.44) MMP13MMP14MMP12
SCHEMBL5103261 0.84 MMP13 (0.48) MMP13MMP14MMP12
SCHEMBL5103016 0.84 MMP13 (0.44) MMP13MMP14MMP12

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989620-B2 Hydantoin derivatives for the treatment of obstructive airway diseases ASTRAZENECA AB (SE) 2011-08-02 US disclosed
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
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-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-20100144771-A1 Novel Hydantoin Derivatives for the Treatment of Obstructive Airway Diseases ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-7648992-B2 Hydantoin derivatives for the treatment of obstructive airway diseases ASTRAZENECA AB (SE) 2010-01-19 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
EP-1778673-B1 NOVEL HYDANTOIN DERIVATIVES FOR THE TREATMENT OF OBSTRUCTIVE AIRWAY DISEASES ASTRAZENECA AB (SE) 2009-11-11 EP disclosed
US-7427631-B2 especially as inhibitors of MMP12 ASTRAZENECA AB (SE) 2008-09-23 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
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080064710-A1 Novel Hydantoin Derivatives for the Treatment of Obstructive Airway Diseases ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080004317-A1 Compounds ASTRAZENECA AB (SE) 2008-01-03 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 (7 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 12/4885MMP14 3/4885MMP12 2/4885
US-20080064710-A1 Novel Hydantoin Derivatives for the Treatment of Obstructive Airway Diseases HRH4, HRH1, HRH2 MMP13 519/4885MMP14 2128/4885MMP12 1794/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MMP13 12/4885MMP14 3/4885MMP12 2/4885
US-20080004317-A1 Compounds CYP1A2, CYP2D6, F12 MMP13 4291/4885MMP14 4794/4885MMP12 4485/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 MMP13 10/4885MMP14 6/4885MMP12 5/4885
US-20100144771-A1 Novel Hydantoin Derivatives for the Treatment of Obstructive Airway Diseases HRH4, HRH1, HRH2 MMP13 520/4885MMP14 2136/4885MMP12 1782/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 MMP13 19/4885MMP14 10/4885MMP12 1/4885

“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.