SCHEMBL940834

SCHEMBL940834

O=C(CCCc1ncccn1)CS(=O)(=O)N1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.44
COMT P21964 1/20 0.43
USP5 P45974 2/20 0.40
DRD2 P14416 3/20 0.40
PRCP P42785 1/20 0.36
HTR1A P08908 1/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
HTR2A P28223 1/20 0.36
DRD3 P35462 1/20 0.36
EGFR P00533 1/20 0.36
NAMPT P43490 1/20 0.36
AOC3 Q16853 1/20 0.36
MCHR1 Q99705 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6808427 0.95 MMP3 (0.41) MMP3COMTUSP5DRD2EGFR
SCHEMBL942368 0.94 MMP3 (0.46) MMP3COMTUSP5DRD2PRCP
SCHEMBL6808425 0.87 MMP3 (0.35) MMP3COMTUSP5DRD2EGFR
SCHEMBL12911467 0.76 KMT2A (0.41) NAMPTALDH1A1GAAMAPTKDM4E
SCHEMBL12911295 0.75 MMP3 (0.52) MMP3COMTUSP5DRD2NAMPT
SCHEMBL6839896 0.73 MMP13 (0.43) COMT
SCHEMBL942531 0.73 MMP13 (0.43) COMT
SCHEMBL5957737 0.73 ADAM17 (0.35) NAMPT
SCHEMBL941379 0.73 MMP1 (0.49) NAMPTMAPT
SCHEMBL941517 0.72 MMP3 (0.45) MMP3USP5DRD2NAMPTSMN1; SMN2

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 12 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-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

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 MMP3 7/4885COMT 1679/4885USP5 2024/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MMP3 7/4885COMT 1679/4885USP5 2024/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MMP3 7/4885COMT 1679/4885USP5 2024/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 MMP3 3/4885COMT 2063/4885USP5 2007/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 MMP3 4/4885COMT 1339/4885USP5 2676/4885

“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.