SCHEMBL940789

SCHEMBL940789

CC(=O)CS(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.51
PANK3 Q9H999 9/20 0.51
CHRM1 P11229 1/20 0.45
SMO Q99835 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL941941 0.81 GPR119 (0.61) GPR119PANK3SMOKDM4EALDH1A1
SCHEMBL942135 0.79 CXCR3 (0.60) KDM4EALDH1A1MAPT
SCHEMBL29446796 0.78 PANK3 (0.63) GPR119PANK3ALDH1A1CNR2
SCHEMBL15268503 0.78 PANK3 (0.63) GPR119PANK3ALDH1A1CNR2
SCHEMBL16787926 0.76 PANK3 (0.62) GPR119PANK3SMOMAPT
SCHEMBL6807074 0.76 GPR119 (0.56) GPR119PANK3SMOKDM4EALDH1A1
SCHEMBL15014105 0.75 PANK3 (0.67) PANK3CHRM1
SCHEMBL18386536 0.75 PANK3 (0.69) PANK3CHRM1CNR2
SCHEMBL942645 0.74 MMP13 (0.60)
SCHEMBL942644 0.74 MMP13 (0.60)

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 14 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-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 GPR119 4482/4885PANK3 4707/4885CHRM1 3838/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 GPR119 4482/4885PANK3 4707/4885CHRM1 3838/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 GPR119 4482/4885PANK3 4707/4885CHRM1 3838/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 GPR119 4215/4885PANK3 3981/4885CHRM1 4742/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 GPR119 2739/4885PANK3 4594/4885CHRM1 1189/4885

“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.