SCHEMBL3934572

SCHEMBL3934572

O=S(=O)(CC(CCCc1ncccn1)NO)N1CCN(c2ncc(OCC(F)(F)F)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.46
CYP3A4 P08684 1/20 0.46
MMP7 P09237 1/20 0.41
KCNH2 Q12809 2/20 0.34
MMP14 P50281 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
CTSS P25774 3/20 0.32
HSD11B1 P28845 2/20 0.32
HCRTR2 O43614 3/20 0.32
LMNA P02545 1/20 0.32
CXCR3 P49682 1/20 0.31
DRD2 P14416 2/20 0.31
HTR1A P08908 1/20 0.31
DRD1 P21728 1/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL13940831 1.00 MMP13 (0.46) MMP13CYP3A4MMP7KCNH2MMP14
SCHEMBL13941032 0.91 CYP3A4 (0.56) MMP13CYP3A4MMP7GPR119CTSS
SCHEMBL3943555 0.88 MMP13 (0.48) MMP13CYP3A4MMP7KCNH2MMP14
SCHEMBL3933433 0.88 MMP13 (0.45) MMP13CYP3A4MMP7KCNH2MMP14
SCHEMBL8304525 0.88 CYP3A4 (0.46) MMP13CYP3A4MMP7MMP14HSD11B1
SCHEMBL3936734 0.85 CYP3A4 (0.51) MMP13CYP3A4MMP7GPR119CTSS
SCHEMBL3937231 0.84 MMP13 (0.44) MMP13CYP3A4MMP7KCNH2MMP14
SCHEMBL13923644 0.83 MMP13 (0.68) MMP13CYP3A4MMP7KCNH2MMP14
SCHEMBL3933431 0.83 MMP13 (0.68) MMP13CYP3A4MMP7KCNH2MMP14
SCHEMBL6644045 0.81 CYP3A4 (0.43) MMP13CYP3A4MMP7MMP14DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485644-B2 N-{'4-substituted piperazine-1-sulfonylmethylalkyl}-n-hydroxyfomamide compounds as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-02-03 US disclosed
EP-1644340-B1 N-[({'4-SUBSTITUTED PIPERAZINE-1-YL}SULFONYLMETHYL)ALKYL]-N-HYDROXYFORMAMIDE COMPOUNDS AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2008-11-12 EP disclosed
US-20070197542-A1 N-{'4-substituted piperazine-1-sulfonylmethyl!alkyl}-n-hydroxyfomamide compounds as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2007-08-23 US disclosed
EP-1644340-A1 N-{'4-SUBSTITUTED PIPERAZINE-1-SULFONYLMETHYL]ALKYL}-N-HYDROXYFORMAMIDE COMPOUNDS AS METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2006-04-12 EP disclosed
WO-2005000822-A1 N-{‘4-SUBSTITUTED PIPERAZINE-1-SULFONYLMETHYL!ALKYL}-N-HYDROXYFOMAMIDE COMPOUNDS AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2005-01-06 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 (1 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-20070197542-A1 N-{'4-substituted piperazine-1-sulfonylmethyl!alkyl}-n-hydroxyfomamide compounds as metalloproteinase inhibitors MMP26, MMP9, MMP3 MMP13 8/4885CYP3A4 466/4885MMP7 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.