SCHEMBL941663

SCHEMBL941663

CC(C)(C)OC(=O)NCCCC(=O)CS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.47
FPR2 P25090 1/20 0.44
PROKR1 Q8TCW9 1/20 0.44
GPR119 Q8TDV5 3/20 0.42
CNR1 P21554 2/20 0.41
DRD2 P14416 5/20 0.40
CPB2 Q96IY4 1/20 0.40
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
LIPE Q05469 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
IP6K1 Q92551 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL941398 0.82 MMP1 (0.54) MMP1FPR2PROKR1GPR119CNR1
SCHEMBL940675 0.80 MMP13 (0.44) MMP1FPR2PROKR1CNR1IP6K1
SCHEMBL943749 0.80 MMP1 (0.56) MMP1FPR2PROKR1GPR119LIPE
SCHEMBL941379 0.79 MMP1 (0.49) MMP1FPR2PROKR1GPR119LIPE
SCHEMBL942174 0.79 GPR119 (0.54) MMP1FPR2PROKR1GPR119LIPE
SCHEMBL940600 0.78 MMP1 (0.57) MMP1FPR2PROKR1GPR119LIPE
SCHEMBL941419 0.78 MMP1 (0.49) MMP1FPR2PROKR1GPR119LIPE
SCHEMBL942627 0.78 FPR2 (0.47) MMP1FPR2PROKR1
SCHEMBL942540 0.78 MMP1 (0.58) MMP1FPR2PROKR1GPR119CNR1
SCHEMBL941286 0.77 MMP1 (0.49) MMP1FPR2PROKR1GPR119LIPE

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 14 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-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
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370556-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074767-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO 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.