SCHEMBL3943167

SCHEMBL3943167

O=C(NO)C(CCCc1ncccn1)CS(=O)(=O)N1CCN(c2ccc(OC(F)(F)C(F)F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
MMP13 P45452 2/20 0.43
MMP7 P09237 1/20 0.43
TP53 P04637 3/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSS P25774 2/20 0.34
ADAM17 P78536 2/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP14 P50281 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 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
SCHEMBL3943162 0.82 MMP13 (0.65) CYP3A4MMP13MMP7MMP1MMP14
SCHEMBL3933433 0.79 MMP13 (0.45) CYP3A4MMP13MMP7CTSSMMP1
SCHEMBL6670938 0.79 MMP7 (0.43) CYP3A4MMP13MMP7TP53CTSS
SCHEMBL8299382 0.78 MMP13 (0.58) CYP3A4MMP13MMP7MMP1MMP14
SCHEMBL3934693 0.78 TP53 (0.46) TP53THRBMAPTPOLBMEN1
SCHEMBL8304525 0.77 CYP3A4 (0.46) CYP3A4MMP13MMP7TP53THRB
SCHEMBL3940021 0.77 CYP3A4 (0.52) CYP3A4MMP13MMP7CTSS
SCHEMBL8303623 0.76 MMP13 (0.40) CYP3A4MMP13TP53THRBMAPT
SCHEMBL3934582 0.76 MAPT (0.39) CYP3A4MMP13MMP7MAPTMEN1
SCHEMBL3935385 0.74 TP53 (0.38) MMP13TP53THRBMAPTPOLB

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 CYP3A4 466/4885MMP13 8/4885MMP7 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.