SCHEMBL941995

SCHEMBL941995

O=C(CCCc1ncccn1)CS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.47
CYP3A4 P08684 1/20 0.45
MMP13 P45452 1/20 0.45
CHRM1 P11229 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
DRD2 P14416 7/20 0.42
DRD4 P21917 7/20 0.42
DRD3 P35462 4/20 0.42
HTR1A P08908 3/20 0.42
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
HTR7 P34969 3/20 0.42
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL14259937 0.85 CYP3A4 (0.62) MMP7CYP3A4MMP13CHRM1KDM4E
SCHEMBL941379 0.80 MMP1 (0.49) MMP13MAPTGPR119
SCHEMBL6674668 0.78 MMP7 (0.46) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL3942539 0.76 CYP3A4 (0.46) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL5883208 0.76 MMP7 (0.81) MMP7CYP3A4MMP13CHRM1KDM4E
SCHEMBL14252779 0.76 MMP7 (0.81) MMP7CYP3A4MMP13CHRM1KDM4E
SCHEMBL12911467 0.76 KMT2A (0.41) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL941024 0.74 MMP7 (0.41) MMP7CYP3A4MMP13CHRM1KDM4E
SCHEMBL12911469 0.74 MMP7 (0.41) MMP7CYP3A4MMP13CHRM1KDM4E
SCHEMBL942363 0.74 MMP7 (0.41) MMP7CYP3A4MMP13CHRM1KDM4E

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 MMP7 17/4885CYP3A4 597/4885MMP13 12/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MMP7 17/4885CYP3A4 597/4885MMP13 12/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 MMP7 17/4885CYP3A4 597/4885MMP13 12/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 MMP7 15/4885CYP3A4 1025/4885MMP13 10/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 MMP7 2/4885CYP3A4 427/4885MMP13 19/4885

“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.