Sugi Predict

Sugi Predict / Compounds / SCHEMBL3944035

SCHEMBL3944035

SCHEMBL3944035

O=S(=O)(C[C@H](NO)C1CCOCC1)N1CCN(c2ccc(OC(F)(F)C(F)F)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.38
▸ MMP14 P50281 2/20 0.38
▸ MMP1 P03956 2/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ADAMTS4 O75173 1/20 0.36
▸ LIPE Q05469 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ADAM10 O14672 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3942288 1.00 MMP13 (0.38) MMP13MMP14MMP1MMP2MMP9
SCHEMBL3944032 1.00 MMP13 (0.38) MMP13MMP14MMP1MMP2MMP9
SCHEMBL3934827 0.87 MMP13 (0.39) MMP13MMP14MMP1MMP2MMP9
SCHEMBL3935385 0.86 TP53 (0.38) MMP13MMP14MMP1MMP2MMP9
SCHEMBL3935381 0.82 MMP9 (0.49) MMP13MMP14MMP1MMP2MMP9
SCHEMBL8303804 0.82 MMP9 (0.49) MMP13MMP14MMP1MMP2MMP9
SCHEMBL3941327 0.80 SMN1; SMN2 (0.40) MMP13MMP14MMP1MMP2MMP9
SCHEMBL14019092 0.79 TP53 (0.42) MMP13MMP14KCNH2TP53THRB
SCHEMBL3934693 0.74 TP53 (0.46) TP53THRBPOLBSMN1; SMN2MAPT
SCHEMBL3939133 0.73 MAPT (0.40) MMP13MMP14MMP1MMP2MMP9

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 8/4885MMP14 15/4885MMP1 5/4885

“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.