SCHEMBL943390

SCHEMBL943390

[O-][n+]1cc(OCc2ccccc2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAOB P27338 3/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL228426 0.80 CA12 (0.49) CA12CA1CA2CA4CA5A
SCHEMBL3230354 0.78 RAB9A (0.67) LMNARAB9AMAPTSMN1; SMN2NPC1
SCHEMBL339813 0.73 LMNA (0.82) CA12CA1CA2CA4CA5A
SCHEMBL5179465 0.72 GPR84 (0.53) CA12CA1CA2CA4CA5A
SCHEMBL197223 0.72 LMNA (0.67) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10428221 0.70 CA12 (0.45) CA12CA1CA2CA4CA5A
SCHEMBL10609652 0.69 LMNA (0.75) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL557817 0.69 LMNA (0.57) CA12CA1CA2CA4CA5A
SCHEMBL926213 0.69 CA12 (0.70) CA12CA1CA2CA4CA5A
Benzylphenylether SCHEMBL61660 0.69 LMNA (0.74) LMNACYP1A2PTGS1SLC6A2CYP2C19

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 18 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
CN-101602731-A Inhibitors of metalloproteinase ASTRAZENECA AB (SE) 2009-12-16 CN disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
CN-100526307-C Metalloprotease inhibitors ASTRAZENECA AB (SE) 2009-08-12 CN 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
CN-1509275-A Metalloproteinase inhibitors 2004-06-30 CN disclosed
CN-1509286-A Metalloprotease inhibitors 2004-06-30 CN 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 CA12 53/4885CA1 93/4885CA2 51/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 CA12 53/4885CA1 93/4885CA2 51/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 CA12 53/4885CA1 93/4885CA2 51/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 CA12 135/4885CA1 288/4885CA2 201/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 CA12 415/4885CA1 134/4885CA2 146/4885

“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.