SCHEMBL1108498

SCHEMBL1108498

COc1ccccc1OCC1(C)NC(=O)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ADAM17 P78536 5/20 0.39
MMP2 P08253 2/20 0.39
MMP3 P08254 2/20 0.39
MMP13 P45452 2/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
ADAM9 Q13443 1/20 0.39

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
SCHEMBL1108460 0.85 SMN1; SMN2 (0.42) SMN1; SMN2NPSR1ADAM17MMP2MMP3
SCHEMBL1108465 0.82 GAA (0.49) SMN1; SMN2NPSR1ALDH1A1ADAM17MMP2
SCHEMBL1108471 0.80 ALDH1A1 (0.52) SMN1; SMN2NPSR1ALDH1A1ADAM17MMP2
SCHEMBL1132913 0.79 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1ALDH1A1ADAM17MMP2
SCHEMBL1358880 0.76 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1ALDH1A1LMNAADAM17
SCHEMBL12416702 0.75 ALDH1A1 (0.48) SMN1; SMN2NPSR1ALDH1A1ADAM17MMP2
SCHEMBL12378666 0.72 ALDH1A1 (0.46) SMN1; SMN2NPSR1ALDH1A1ADAM17MMP2
SCHEMBL2893907 0.72 SMN1; SMN2 (0.52) SMN1; SMN2NPSR1ALDH1A1CA2ADAM17
SCHEMBL12378824 0.71 SMN1; SMN2 (0.48) SMN1; SMN2NPSR1ALDH1A1ADAM17MMP2
SCHEMBL12374401 0.71 ALDH1A1 (0.74) SMN1; SMN2NPSR1ALDH1A1ADAM17MMP2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153673-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2012-04-10 US disclosed
US-8153673-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2012-04-10 US disclosed
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
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
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-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-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 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-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-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
US-7368465-B2 Respiratory system disorders; antiarthritic agents; anticancer agents; bone disorders ASTRAZENECA AB (SE) 2008-05-06 US disclosed
US-20040138276-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-15 US disclosed
US-20040138276-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-15 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 SMN1; SMN2 2584/4885NPSR1 2119/4885ALDH1A1 612/4885
US-20100273849-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 SMN1; SMN2 1262/4885NPSR1 375/4885ALDH1A1 1381/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 SMN1; SMN2 2584/4885NPSR1 2119/4885ALDH1A1 612/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 SMN1; SMN2 1262/4885NPSR1 375/4885ALDH1A1 1381/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 SMN1; SMN2 1982/4885NPSR1 358/4885ALDH1A1 1172/4885

“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.