SCHEMBL943121

SCHEMBL943121

O=C1NC(=O)C(CCCN2CCOCC2)(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)N1OC(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.39
FPR2 P25090 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
MMP13 P45452 12/20 0.35
MMP12 P39900 3/20 0.35
IP6K1 Q92551 1/20 0.34
MMP14 P50281 7/20 0.33
LIPE Q05469 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
EPHX2 P34913 1/20 0.32
KCNH2 Q12809 1/20 0.31

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
SCHEMBL942610 0.89 MMP1 (0.42) MMP1FPR2PROKR1MMP13MMP12
SCHEMBL940602 0.86 MCHR1 (0.38) MMP13MMP12EPHX2
SCHEMBL941450 0.82 MMP1 (0.41) MMP1FPR2PROKR1MMP13MMP12
Trifluoroacetic Acid SCHEMBL943119 0.82 MMP13 (0.41) MMP1FPR2PROKR1MMP13MMP12
SCHEMBL941706 0.76 MMP13 (0.47) MMP1FPR2PROKR1MMP13MMP12
SCHEMBL942627 0.75 FPR2 (0.47) MMP1FPR2PROKR1TRPV4EPHX2
SCHEMBL943397 0.73 FPR2 (0.48) MMP1FPR2PROKR1LIPEEPHX2
Trifluoroacetic Acid SCHEMBL942607 0.70 MMP13 (0.44) MMP1FPR2PROKR1MMP13MMP12
SCHEMBL942639 0.68 MMP13 (0.51) MMP1FPR2PROKR1MMP13MMP12
Trifluoroacetic Acid SCHEMBL941307 0.68 MMP13 (0.45) MMP1FPR2PROKR1MMP13MMP12

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-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 (5 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 MMP1 10/4885FPR2 737/4885PROKR1 2373/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MMP1 10/4885FPR2 737/4885PROKR1 2373/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MMP1 10/4885FPR2 737/4885PROKR1 2373/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 MMP1 17/4885FPR2 1510/4885PROKR1 2106/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 MMP1 14/4885FPR2 1887/4885PROKR1 2512/4885

“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.