SCHEMBL12377094

SCHEMBL12377094

C[C@]1(CS(=O)(=O)N2CC=C(C#Cc3ccccn3)CC2)NC(=O)NC1=O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.61
MMP13 P45452 11/20 0.48
MMP14 P50281 5/20 0.48
MMP12 P39900 3/20 0.42
CYP1A2 P05177 2/20 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 SCHEMBL941795 0.93 GRM5 (0.55) GRM5MMP13MMP14MMP12
SCHEMBL2292206 0.84 MMP13 (0.44) MMP13MMP14MMP12
SCHEMBL4009583 0.84 MMP13 (0.44) MMP13MMP14MMP12
SCHEMBL3933308 0.83 MMP13 (0.45) GRM5MMP13MMP14MMP12
SCHEMBL2289321 0.81 MMP13 (0.43) MMP13MMP14MMP12
SCHEMBL5241113 0.81 MMP13 (0.43) MMP13MMP14MMP12
SCHEMBL5103259 0.81 MMP13 (0.48) MMP13MMP14MMP12
SCHEMBL5103261 0.81 MMP13 (0.48) MMP13MMP14MMP12
SCHEMBL8273858 0.81 MMP13 (0.51) MMP13MMP14MMP12
SCHEMBL6835855 0.81 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 11 patents. 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-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-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
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

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

For each of this compound's patents that has machine-readable text (6 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 GRM5 3668/4885MMP13 12/4885MMP14 3/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 GRM5 3668/4885MMP13 12/4885MMP14 3/4885
US-20080064710-A1 Novel Hydantoin Derivatives for the Treatment of Obstructive Airway Diseases HRH4, HRH1, HRH2 GRM5 2437/4885MMP13 519/4885MMP14 2128/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 GRM5 3668/4885MMP13 12/4885MMP14 3/4885
US-20080004317-A1 Compounds CYP1A2, CYP2D6, F12 GRM5 3038/4885MMP13 4291/4885MMP14 4794/4885
US-20100144771-A1 Novel Hydantoin Derivatives for the Treatment of Obstructive Airway Diseases HRH4, HRH1, HRH2 GRM5 2364/4885MMP13 520/4885MMP14 2136/4885

“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.