SCHEMBL941823

SCHEMBL941823

CC1(CS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)NC(=O)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.46
MMP14 P50281 5/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MMP1 P03956 4/20 0.43
MMP2 P08253 4/20 0.43
MMP9 P14780 4/20 0.43
HSD11B1 P28845 4/20 0.38
PTGS2 P35354 1/20 0.37
MAPT P10636 1/20 0.37
MMP12 P39900 1/20 0.36
MMP3 P08254 2/20 0.36
MMP7 P09237 2/20 0.36
LSS P48449 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 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
SCHEMBL941785 0.84 ALDH1A1 (0.44) MMP13MMP14CA12CA1CA2
SCHEMBL12378667 0.81 CA12 (0.42) MMP13MMP14CA12CA1CA2
SCHEMBL12418579 0.78 MMP13 (0.38) MMP13MMP14MMP12ALDH1A1SMN1; SMN2
SCHEMBL6210220 0.78 MMP13 (0.51) MMP13MMP14PTGS2MMP12SMN1; SMN2
SCHEMBL12378832 0.78 PLCG1 (0.44) MMP13MMP14MMP2MMP12ALDH1A1
SCHEMBL6879272 0.76 MMP14 (0.38) MMP13MMP14MMP1MMP2MMP9
SCHEMBL7199008 0.76 MMP14 (0.38) MMP13MMP14MMP1MMP2MMP9
SCHEMBL6876082 0.76 MMP13 (0.47) MMP13MMP14MMP1MMP2MMP9
SCHEMBL942215 0.72 MMP13 (0.57) MMP13MMP14MMP12
SCHEMBL942214 0.72 MMP13 (0.57) MMP13MMP14MMP12

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 10 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

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 MMP13 12/4885MMP14 3/4885CA12 53/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MMP13 12/4885MMP14 3/4885CA12 53/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MMP13 12/4885MMP14 3/4885CA12 53/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 MMP13 10/4885MMP14 6/4885CA12 135/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 MMP13 19/4885MMP14 10/4885CA12 415/4885

“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.