SCHEMBL3548459

SCHEMBL3548459

O=C(CS(=O)(=O)N1CCC(c2ccc(F)cc2)CC1)c1c[nH]cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.43
DRD2 P14416 5/20 0.42
USP5 P45974 4/20 0.41
COMT P21964 1/20 0.38
HTR1A P08908 2/20 0.37
HTR2A P28223 2/20 0.37
DRD3 P35462 2/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
NAMPT P43490 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
USP3 Q9Y6I4 1/20 0.37
EGFR P00533 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2B P41595 1/20 0.35
MCHR1 Q99705 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL12911295 0.76 MMP3 (0.52) MMP3DRD2USP5COMTNAMPT
SCHEMBL941270 0.75 PARP10 (0.54) MMP3DRD2USP5HDAC6
SCHEMBL942368 0.72 MMP3 (0.46) MMP3DRD2USP5COMTNAMPT
SCHEMBL941417 0.72 MMP13 (0.46) COMTEGFRADAMTS5
SCHEMBL940834 0.70 MMP3 (0.44) MMP3DRD2USP5COMTHTR1A
SCHEMBL941517 0.69 MMP3 (0.45) MMP3DRD2USP5NAMPTADAMTS5
SCHEMBL4698592 0.68 USP5 (0.50) MMP3DRD2USP5COMTNAMPT
SCHEMBL4698427 0.67 USP5 (0.48) DRD2USP5COMTHTR1AHTR2A
SCHEMBL6808427 0.67 MMP3 (0.41) MMP3DRD2USP5COMTEGFR
SCHEMBL13696623 0.66 TDP1 (0.46) MMP3DRD2USP5COMTHTR1A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MMP3 7/4885DRD2 4834/4885USP5 2024/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 MMP3 3/4885DRD2 4866/4885USP5 2007/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 MMP3 4/4885DRD2 3229/4885USP5 2676/4885

“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.