SCHEMBL942586

SCHEMBL942586

CN1C(=O)N(CC2(CSCc3ccccc3)NC(=O)NC2=O)C(=O)C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.41
ALDH1A1 P00352 3/20 0.39
AKR1B1 P15121 5/20 0.35
ELANE P08246 2/20 0.33
ATM Q13315 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
PKM P14618 1/20 0.32
TTR P02766 1/20 0.32
MMP8 P22894 1/20 0.31
MMP14 P50281 1/20 0.31
MMP17 Q9ULZ9 1/20 0.31
CYP2C19 P33261 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
SCHEMBL8661339 0.80 ALDH1A1 (0.42) ALDH1A1AKR1B1CYP2C19
SCHEMBL5935684 0.78 ALDH1A1 (0.42) ALDH1A1MMP2MMP3MMP9MMP13
SCHEMBL13103908 0.78 ALDH1A1 (0.42) ALDH1A1MMP2MMP3MMP9MMP13
SCHEMBL8660046 0.75 ALDH1A1 (0.39) ALDH1A1AKR1B1CYP2C19
SCHEMBL8660050 0.75 ALDH1A1 (0.39) ALDH1A1AKR1B1CYP2C19
SCHEMBL944078 0.72 ALDH1A1 (0.57) ALDH1A1MMP2MMP9MMP13TTR
SCHEMBL941900 0.72 ALDH1A1 (0.57) ALDH1A1MMP2MMP9MMP13TTR
SCHEMBL940446 0.72 ALDH1A1 (0.57) ALDH1A1MMP2MMP9MMP13TTR
SCHEMBL943431 0.70 PLA2G7 (0.45) PLA2G7ALDH1A1ELANEATMMMP2
SCHEMBL940749 0.69 PLA2G7 (0.33) PLA2G7AKR1B1

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-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

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

For each of this compound's patents that has machine-readable text (4 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 PLA2G7 289/4885ALDH1A1 612/4885AKR1B1 1872/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 PLA2G7 289/4885ALDH1A1 612/4885AKR1B1 1872/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 PLA2G7 289/4885ALDH1A1 612/4885AKR1B1 1872/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 PLA2G7 776/4885ALDH1A1 1250/4885AKR1B1 512/4885

“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.