SCHEMBL3935461

SCHEMBL3935461

O=S(=O)(/C=C/CCCc1ncccn1)N1CCN(c2ncc(OCC(F)(F)F)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.37
CYP3A4 P08684 1/20 0.37
KCNH2 Q12809 3/20 0.35
GPR119 Q8TDV5 2/20 0.35
LMNA P02545 2/20 0.34
MMP14 P50281 1/20 0.33
KMT2A Q03164 3/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 1/20 0.31
MEN1 O00255 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
SCHEMBL3935466 1.00 MMP13 (0.37) MMP13CYP3A4KCNH2GPR119LMNA
SCHEMBL3945258 0.84 CYP3A4 (0.43) MMP13CYP3A4GPR119LMNAKMT2A
SCHEMBL3945254 0.84 CYP3A4 (0.43) MMP13CYP3A4GPR119LMNAKMT2A
SCHEMBL6807235 0.83 MMP7 (0.42) MMP13CYP3A4LMNAKMT2APKM
SCHEMBL5916480 0.83 LMNA (0.39) MMP13CYP3A4LMNAKMT2APKM
SCHEMBL6807231 0.83 MMP7 (0.42) MMP13CYP3A4LMNAKMT2APKM
SCHEMBL6643214 0.83 MMP7 (0.42) MMP13CYP3A4LMNAKMT2APKM
SCHEMBL5916483 0.83 LMNA (0.39) MMP13CYP3A4LMNAKMT2APKM
SCHEMBL5916479 0.83 LMNA (0.39) MMP13CYP3A4LMNAKMT2APKM
SCHEMBL6803436 0.80 SLC6A7 (0.40) LMNAKMT2APKMKDM4ESMN1; SMN2

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 3 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

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 466/4885KCNH2 2796/4885

“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.