SCHEMBL3935385

SCHEMBL3935385

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38
MMP2 P08253 6/20 0.37
MMP9 P14780 6/20 0.37
MMP1 P03956 2/20 0.37
MMP3 P08254 2/20 0.37
ADAM10 O14672 1/20 0.37
EPHX2 P34913 1/20 0.36
ADAM17 P78536 1/20 0.36
MMP13 P45452 3/20 0.36
MMP14 P50281 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MMP8 P22894 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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 0.86 MMP13 (0.38) TP53THRBMMP2MMP9MMP1
SCHEMBL3944035 0.86 MMP13 (0.38) TP53THRBMMP2MMP9MMP1
SCHEMBL3944032 0.86 MMP13 (0.38) TP53THRBMMP2MMP9MMP1
SCHEMBL3934827 0.85 MMP13 (0.39) TP53THRBMMP2MMP9MMP1
SCHEMBL3941327 0.81 SMN1; SMN2 (0.40) TP53THRBMMP2MMP9MMP1
SCHEMBL8303804 0.80 MMP9 (0.49) MMP2MMP9MMP1MMP3MMP13
SCHEMBL3935381 0.80 MMP9 (0.49) MMP2MMP9MMP1MMP3MMP13
SCHEMBL3934693 0.79 TP53 (0.46) TP53THRBMAPTPOLBSMN1; SMN2
SCHEMBL6033492 0.77 ADAM10 (0.50) MMP2MMP9ADAM10MMP13MAPT
SCHEMBL4610016 0.77 ADAM10 (0.50) MMP2MMP9ADAM10MMP13MAPT

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 TP53 1779/4885THRB 3103/4885MMP2 6/4885

“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.