SCHEMBL6399276

SCHEMBL6399276

O=CN(O)[C@H](CS(=O)(=O)Cc1ccc2ncsc2c1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
NAMPT P43490 1/20 0.36
IKBKB O14920 1/20 0.36
DYRK3 O43781 9/20 0.36
CLK1 P49759 9/20 0.36
CLK2 P49760 9/20 0.36
CLK3 P49761 9/20 0.36
CLK4 Q9HAZ1 9/20 0.36
DYRK4 Q9NR20 9/20 0.36
DYRK1B Q9Y463 9/20 0.36
DYRK2 Q92630 8/20 0.36
DYRK1A Q13627 8/20 0.36
GSK3B P49841 8/20 0.36
CSNK1E P49674 4/20 0.36
CDK5 Q00535 4/20 0.36
CDK5R1 Q15078 4/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6399280 1.00 MMP2 (0.38) MMP2MMP9NAMPTIKBKBDYRK3
SCHEMBL6399017 0.86 MMP2 (0.38) MMP2MMP9DYRK1BGSK3BCDK5
SCHEMBL6399012 0.86 MMP2 (0.38) MMP2MMP9DYRK1BGSK3BCDK5
SCHEMBL6400319 0.79 MMP2 (0.39) MMP2MMP9DYRK1BGSK3BCDK5
SCHEMBL6399715 0.79 MMP2 (0.39) MMP2MMP9DYRK1BGSK3BCDK5
SCHEMBL6403857 0.79 ACP1 (0.40) MMP2MMP9RAB9A
SCHEMBL6403864 0.79 ACP1 (0.40) MMP2MMP9RAB9A
SCHEMBL6401008 0.78 MMP2 (0.45) MMP2MMP9DYRK1BGSK3BCDK5
SCHEMBL6401013 0.78 MMP2 (0.45) MMP2MMP9DYRK1BGSK3BCDK5
SCHEMBL6400665 0.78 MMP2 (0.40) MMP2MMP9DYRK1BGSK3BCDK5

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US claimed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP claimed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US claimed
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP claimed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO claimed
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US disclosed
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 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 (2 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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 MMP2 2931/4885MMP9 3613/4885NAMPT 3587/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MMP2 2846/4885MMP9 3775/4885NAMPT 3548/4885

“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.