SCHEMBL940376

SCHEMBL940376

O=C(CCc1ccccc1)CS(=O)(=O)N1CCC(c2ccccc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
CHRM4 P08173 1/20 0.43
MMP3 P08254 3/20 0.42
ADAM10 O14672 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
GLRA3 O75311 1/20 0.39
GLRB P48167 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 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
SCHEMBL6809063 0.89 MMP3 (0.43) CYP2C19CHRM4MMP3KMT2AALDH1A1
SCHEMBL942568 0.81 DRD4 (0.45) CHRM4MMP3ADAM10MMP2MMP9
SCHEMBL5669798 0.73 MMP3 (0.44) CYP2C19CHRM4MMP3ADAM10MMP2
SCHEMBL1266717 0.72 NAMPT (0.45) MMP3ALDH1A1POLBHDAC1TRPA1
SCHEMBL1979216 0.70 LMNA (0.48) CYP2C19HDAC6
SCHEMBL7151590 0.70 MMP3 (0.40) CYP2C19CHRM4MMP3ADAM10MMP2
SCHEMBL942470 0.69 MMP1 (0.49) CYP2C19NPSR1ALDH1A1MAPTHPGD
SCHEMBL942368 0.69 MMP3 (0.46) MMP3ALDH1A1MAPTHDAC6
SCHEMBL2636989 0.69 RBP4 (0.52) CYP2C19CHRM4KMT2AMAPTDRD4
SCHEMBL1979493 0.68 HPGD (0.49) KMT2ANPSR1ALDH1A1MAPTHPGD

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 12 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-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

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 CYP2C19 181/4885CHRM4 4683/4885MMP3 7/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 CYP2C19 181/4885CHRM4 4683/4885MMP3 7/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 CYP2C19 181/4885CHRM4 4683/4885MMP3 7/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 CYP2C19 531/4885CHRM4 4867/4885MMP3 3/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 CYP2C19 326/4885CHRM4 2610/4885MMP3 4/4885

“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.