SCHEMBL940416

SCHEMBL940416

CS(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.55
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPT P10636 1/20 0.50
CCR2 P41597 1/20 0.49

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
SCHEMBL6807593 0.91 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1RECQLSMN1; SMN2
SCHEMBL13779322 0.87 KDM4E (0.58) ALDH1A1KDM4EL3MBTL1
SCHEMBL15218460 0.85 ALDH1A1 (0.59) ALDH1A1KDM4ERECQLSMN1; SMN2CYP3A4
SCHEMBL2184353 0.85 ALDH1A1 (0.61) ALDH1A1KDM4E
SCHEMBL1005879 0.83 KDM4E (0.62) ALDH1A1KDM4ERECQLSMN1; SMN2NPSR1
SCHEMBL2350825 0.83 LMNA (0.62) ALDH1A1KDM4ERECQLSMN1; SMN2NPSR1
SCHEMBL1029651 0.83 RECQL (0.73) ALDH1A1KDM4ERECQLSMN1; SMN2CYP2D6
SCHEMBL8117468 0.82 MAPT (0.67) KDM4EMAPT
SCHEMBL13594995 0.81 ALDH1A1 (0.57) ALDH1A1KDM4ERECQLSMN1; SMN2CYP3A4
SCHEMBL29275411 0.80 KDM4E (0.65) ALDH1A1KDM4ERECQLSMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
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-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
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US 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-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-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-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
CN-1509286-A Metalloprotease inhibitors 2004-06-30 CN 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 (3 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 612/4885KDM4E 1736/4885L3MBTL1 4250/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 ALDH1A1 612/4885KDM4E 1736/4885L3MBTL1 4250/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 ALDH1A1 1250/4885KDM4E 2227/4885L3MBTL1 3113/4885

“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.