SCHEMBL941038

SCHEMBL941038

CC(=O)CS(=O)(=O)c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ MMP2 P08253 8/20 0.48
▸ MMP3 P08254 7/20 0.48
▸ MMP7 P09237 6/20 0.48
▸ MMP1 P03956 5/20 0.48
▸ MMP9 P14780 5/20 0.48
▸ MMP13 P45452 5/20 0.48
▸ KDM1A O60341 1/20 0.48
▸ MMP14 P50281 2/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ PTGS2 P35354 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HSD11B1 P28845 1/20 0.42

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
SCHEMBL10420388 0.80 MMP2 (0.58) CA12CA1CA2CA9MMP2
SCHEMBL941159 0.80 MMP2 (0.73) ALDH1A1POLBSMN1; SMN2MMP2MMP3
SCHEMBL19183052 0.77 KDM1A (0.48) ALDH1A1POLBSMN1; SMN2CA12CA1
SCHEMBL506270 0.75 MAPT (0.55) ALDH1A1CA12CA1CA2CA9
SCHEMBL6203735 0.74 RECQL (0.66) ALDH1A1CA12CA1CA2CA9
SCHEMBL7385583 0.73 ALDH1A1 (0.67) ALDH1A1POLBSMN1; SMN2CA12CA1
SCHEMBL4190362 0.73 PTGS2 (0.72) CA12CA1CA2CA9MMP2
SCHEMBL455924 0.73 ALDH1A1 (0.69) ALDH1A1POLBSMN1; SMN2CA12CA1
SCHEMBL309411 0.73 CA1 (0.66) ALDH1A1CA12CA1CA2CA9
Acetone SCHEMBL3433409 0.73 MMP3 (0.58) ALDH1A1CA12CA1CA2CA9

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 612/4885POLB 789/4885SMN1; SMN2 2584/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 ALDH1A1 612/4885POLB 789/4885SMN1; SMN2 2584/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 ALDH1A1 612/4885POLB 789/4885SMN1; SMN2 2584/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 ALDH1A1 573/4885POLB 1172/4885SMN1; SMN2 3138/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 ALDH1A1 1250/4885POLB 2347/4885SMN1; SMN2 2809/4885

“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.

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