SCHEMBL943419

SCHEMBL943419

O=C1NC(=O)C(CCOCc2ccccc2)(CS(=O)(=O)Cl)N1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
MMP2 P08253 5/20 0.38
MMP13 P45452 5/20 0.38
ADAM17 P78536 3/20 0.38
ADAMTS5 Q9UNA0 2/20 0.38
MMP9 P14780 3/20 0.38
MMP3 P08254 1/20 0.38
MMP14 P50281 1/20 0.35
PPARG P37231 1/20 0.34
TSHR P16473 1/20 0.34
MMP8 P22894 2/20 0.33
CYP3A4 P08684 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL9047819 0.75 ALDH1A1 (0.56) ALDH1A1MMP2MMP13ADAM17ADAMTS5
SCHEMBL5836631 0.73 ALDH1A1 (0.61) ALDH1A1MMP2MMP13MMP9MMP3
SCHEMBL4174555 0.70 CYP3A4 (0.49) ALDH1A1MMP2MMP13ADAM17MMP9
SCHEMBL1623066 0.68 TSHR (0.52) ALDH1A1TSHRPKM
SCHEMBL2963931 0.67 LMNA (0.38) ALDH1A1ADAM17ADAMTS5CYP3A4
SCHEMBL73830 0.67 LMNA (0.38) ALDH1A1ADAM17ADAMTS5CYP3A4
SCHEMBL14783070 0.66 MMP9 (0.66) ALDH1A1MMP2MMP13MMP9MMP3
SCHEMBL23461765 0.66 TSHR (0.48) ALDH1A1TSHRPKM
SCHEMBL29990163 0.66 TSHR (0.48) ALDH1A1TSHRHRH4HRH3
SCHEMBL12374401 0.64 ALDH1A1 (0.74) ALDH1A1MMP2MMP13ADAM17ADAMTS5

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 ALDH1A1 612/4885MMP2 15/4885MMP13 12/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 ALDH1A1 612/4885MMP2 15/4885MMP13 12/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 ALDH1A1 612/4885MMP2 15/4885MMP13 12/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 ALDH1A1 573/4885MMP2 11/4885MMP13 10/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 ALDH1A1 1250/4885MMP2 11/4885MMP13 19/4885

“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.