SCHEMBL3457549

SCHEMBL3457549

C[C@]1(CS(=O)(=O)Cl)NC(=O)NC1=O.C[C@]1(CSCc2ccccc2)NC(=O)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
MMP13 P45452 10/20 0.40
MMP14 P50281 3/20 0.40
MMP12 P39900 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADAM17 P78536 3/20 0.34
MMP2 P08253 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL940446 0.88 ALDH1A1 (0.57) ALDH1A1MMP13MMP14SMN1; SMN2NPSR1
SCHEMBL944078 0.88 ALDH1A1 (0.57) ALDH1A1MMP13MMP14SMN1; SMN2NPSR1
SCHEMBL941900 0.88 ALDH1A1 (0.57) ALDH1A1MMP13MMP14SMN1; SMN2NPSR1
SCHEMBL74108 0.78 MMP13 (0.41) ALDH1A1MMP13MMP14MMP12SMN1; SMN2
SCHEMBL75900 0.78 MMP13 (0.41) ALDH1A1MMP13MMP14MMP12SMN1; SMN2
SCHEMBL2967822 0.78 MMP13 (0.41) ALDH1A1MMP13MMP14MMP12SMN1; SMN2
SCHEMBL8661339 0.71 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2ADAM17MAPT
SCHEMBL13103908 0.70 ALDH1A1 (0.42) ALDH1A1MMP13ADAM17MMP2MAPT
SCHEMBL5935684 0.70 ALDH1A1 (0.42) ALDH1A1MMP13ADAM17MMP2MAPT
SCHEMBL1099764 0.69 ALDH1A1 (0.48) ALDH1A1MMP13MMP14SMN1; SMN2NPSR1

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
EP-1676846-B1 Hydantoin derivatives as MMP inhibitors ASTRAZENECA AB (SE) 2010-12-29 EP disclosed
US-20100273849-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-28 US disclosed
EP-1370537-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2010-10-13 EP 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-7666892-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-23 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-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 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
US-7368465-B2 Respiratory system disorders; antiarthritic agents; anticancer agents; bone disorders ASTRAZENECA AB (SE) 2008-05-06 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-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-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 ALDH1A1 612/4885MMP13 12/4885MMP14 3/4885
US-20100273849-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 ALDH1A1 1381/4885MMP13 6/4885MMP14 10/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 ALDH1A1 612/4885MMP13 12/4885MMP14 3/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 ALDH1A1 1381/4885MMP13 6/4885MMP14 10/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 ALDH1A1 573/4885MMP13 10/4885MMP14 6/4885

“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.