SCHEMBL942568

SCHEMBL942568

CC(=O)CS(=O)(=O)N1CCC(c2ccccc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.45
MMP3 P08254 3/20 0.44
ADAM10 O14672 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
HCRTR2 O43614 4/20 0.44
GLRA3 O75311 1/20 0.43
GLRB P48167 1/20 0.43
HSD17B10 Q99714 1/20 0.42
IKBKB O14920 2/20 0.41
CHUK O15111 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
GRM2 Q14416 1/20 0.40
CHRM4 P08173 1/20 0.40
OPRL1 P41146 1/20 0.40

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
SCHEMBL940376 0.81 CYP2C19 (0.43) DRD4MMP3ADAM10MMP2MMP9
SCHEMBL12911295 0.78 MMP3 (0.52) MMP3HCRTR2SMN1; SMN2DRD2
SCHEMBL5670514 0.76 ADAM10 (0.45) DRD4MMP3ADAM10MMP2MMP9
SCHEMBL5671594 0.76 ADAM10 (0.45) DRD4MMP3ADAM10MMP2MMP9
Acetone SCHEMBL27752381 0.75 DRD4 (0.45) DRD4HCRTR2TSHRSMN1; SMN2
SCHEMBL6809063 0.74 MMP3 (0.43) MMP3TSHRSMN1; SMN2DRD2CHRM4
SCHEMBL27812802 0.72 RBP4 (0.50) DRD4GRM2CHRM4
SCHEMBL5669798 0.72 MMP3 (0.44) DRD4MMP3ADAM10MMP2MMP9
SCHEMBL943181 0.72 MMP13 (0.60)
SCHEMBL2636989 0.71 RBP4 (0.52) DRD4CHRM4

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 DRD4 4741/4885MMP3 7/4885ADAM10 30/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 DRD4 4741/4885MMP3 7/4885ADAM10 30/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 DRD4 4741/4885MMP3 7/4885ADAM10 30/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 DRD4 4845/4885MMP3 3/4885ADAM10 28/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 DRD4 3475/4885MMP3 4/4885ADAM10 21/4885

“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.