SCHEMBL6399628

SCHEMBL6399628

COc1ccc(C(CS(=O)(=O)Cc2ccc3sccc3c2)N(O)C=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.36
CA12 O43570 6/20 0.36
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
PDE10A Q9Y233 1/20 0.34
CYP2A6 P11509 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FFAR1 O14842 1/20 0.32
TP53 P04637 1/20 0.32
SLC2A1 P11166 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
NTRK1 P04629 1/20 0.32
MET P08581 1/20 0.32
PIM1 P11309 1/20 0.32
FGFR1 P11362 1/20 0.32
PRKACA P17612 1/20 0.32
GRK5 P34947 1/20 0.32
MAP2K2 P36507 1/20 0.32
FLT3 P36888 1/20 0.32

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
SCHEMBL6399624 1.00 CA2 (0.36) CA2CA12MMP2MMP9PDE10A
SCHEMBL6606256 0.95 CA2 (0.33) CA2CA12MMP2MMP9PDE10A
SCHEMBL6429205 0.90 CA12 (0.34) CA2CA12MMP2MMP9PDE10A
SCHEMBL6429202 0.90 CA12 (0.34) CA2CA12MMP2MMP9PDE10A
SCHEMBL6400972 0.87 CA12 (0.35) CA2CA12MMP2MMP9CYP2A6
SCHEMBL6401597 0.87 CA12 (0.35) CA2CA12MMP2MMP9CYP2A6
SCHEMBL6399715 0.87 MMP2 (0.39) CA2CA12MMP2MMP9CYP2A6
SCHEMBL6400319 0.87 MMP2 (0.39) CA2CA12MMP2MMP9CYP2A6
SCHEMBL6404232 0.86 MMP2 (0.34) MMP2MMP9TP53CHEK1AURKA
SCHEMBL6404230 0.86 MMP2 (0.34) MMP2MMP9TP53CHEK1AURKA

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 8 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

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 CA2 1247/4885CA12 158/4885MMP2 2931/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 CA2 1162/4885CA12 132/4885MMP2 2846/4885

“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.