SCHEMBL3934582

SCHEMBL3934582

O=S(=O)(C=CCCCc1ncccn1)N1CCN(c2ccc(OC(F)(F)C(F)F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
MMP13 P45452 1/20 0.36
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD11B1 P28845 3/20 0.34
RECQL P46063 1/20 0.33
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
MMP7 P09237 1/20 0.32
HTR7 P34969 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RAB9A P51151 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 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
SCHEMBL5883129 0.81 MMP7 (0.42) MAPTGAALMNAKMT2AMEN1
SCHEMBL5883127 0.81 MMP7 (0.42) MAPTGAALMNAKMT2AMEN1
SCHEMBL3943162 0.76 MMP13 (0.65) CYP3A4MMP13MMP7
SCHEMBL3943167 0.76 CYP3A4 (0.43) MAPTKMT2AMEN1CYP3A4MMP13
SCHEMBL3935466 0.76 MMP13 (0.37) LMNAKMT2AMEN1CYP3A4MMP13
SCHEMBL3935461 0.76 MMP13 (0.37) LMNAKMT2AMEN1CYP3A4MMP13
SCHEMBL6811849 0.76 DRD3 (0.36) MAPTGAALMNAKMT2AMEN1
SCHEMBL6646411 0.76 DRD3 (0.36) MAPTGAALMNAKMT2AMEN1
SCHEMBL3934517 0.75 GAA (0.68) MAPTGAALMNAKMT2AMEN1
SCHEMBL3934524 0.75 GAA (0.68) MAPTGAALMNAKMT2AMEN1

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 MAPT 4413/4885GAA 764/4885LMNA 903/4885

“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.