SCHEMBL940412

SCHEMBL940412

Cc1cccc(CC(=O)CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.49
PROKR1 Q8TCW9 1/20 0.49
MMP1 P03956 1/20 0.48
ACSL1 P33121 2/20 0.42
LIPE Q05469 1/20 0.40
NAAA Q02083 1/20 0.38
HCRTR1 O43613 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SCN1A P35498 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
TDO2 P48775 1/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL943749 0.83 MMP1 (0.56) FPR2PROKR1MMP1LIPENAAA
SCHEMBL942470 0.81 MMP1 (0.49) FPR2PROKR1MMP1LIPEALDH1A1
SCHEMBL941398 0.81 MMP1 (0.54) FPR2PROKR1MMP1LIPETDO2
SCHEMBL940600 0.81 MMP1 (0.57) FPR2PROKR1MMP1LIPENAAA
SCHEMBL942540 0.80 MMP1 (0.58) FPR2PROKR1MMP1LIPETDO2
SCHEMBL941286 0.78 MMP1 (0.49) FPR2PROKR1MMP1LIPENAAA
SCHEMBL940684 0.77 MMP1 (0.52) FPR2PROKR1MMP1LIPEHCRTR1
SCHEMBL943795 0.77 MMP13 (0.48) FPR2PROKR1MMP1
SCHEMBL941419 0.77 MMP1 (0.49) FPR2PROKR1MMP1LIPEHCRTR1
SCHEMBL941379 0.76 MMP1 (0.49) FPR2PROKR1MMP1LIPENAAA

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 10 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

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

“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.