Sugi Predict

Sugi Predict / Compounds / SCHEMBL3939136

SCHEMBL3939136

SCHEMBL3939136

O=S(=O)(C=CC1CCOCC1)N1CCN(c2ccc(OC(F)(F)C(F)F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33

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
SCHEMBL3939133 1.00 MAPT (0.40) MAPTGAAMEN1KMT2ALMNA
SCHEMBL3934517 0.78 GAA (0.68) MAPTGAAMEN1KMT2ALMNA
SCHEMBL3934524 0.78 GAA (0.68) MAPTGAAMEN1KMT2ALMNA
SCHEMBL3941327 0.76 SMN1; SMN2 (0.40) MAPTGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3934827 0.76 MMP13 (0.39) MAPTGAALMNASMN1; SMN2ALDH1A1
SCHEMBL3936267 0.75 POLB (0.50) MAPTGAAMEN1KMT2ALMNA
SCHEMBL3935381 0.75 MMP9 (0.49) MMP13MMP14KCNH2MMP1MMP2
SCHEMBL8303804 0.75 MMP9 (0.49) MMP13MMP14KCNH2MMP1MMP2
SCHEMBL3944035 0.73 MMP13 (0.38) MAPTGAASMN1; SMN2ALDH1A1HTT
SCHEMBL3942288 0.73 MMP13 (0.38) MAPTGAASMN1; SMN2ALDH1A1HTT

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 MAPT 4413/4885GAA 764/4885MEN1 786/4885

“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.