SCHEMBL6400440

SCHEMBL6400440

O=CN(O)C(CS(=O)(=O)Cc1ccc2sccc2c1)c1ccc(C(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.36
CTNNB1 P35222 2/20 0.36
WNT3A P56704 2/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
MMP2 P08253 4/20 0.34
MMP9 P14780 4/20 0.34
CYP2A6 P11509 2/20 0.34
SIGMAR1 Q99720 1/20 0.33
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
MAPK8 P45983 1/20 0.32
MAPK9 P45984 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
SCHEMBL6400431 1.00 CSNK2A1 (0.36) CSNK2A1CTNNB1WNT3AMRGPRX4MMP2
SCHEMBL6400319 0.90 MMP2 (0.39) CTNNB1WNT3AMRGPRX4MMP2MMP9
SCHEMBL6399715 0.90 MMP2 (0.39) CTNNB1WNT3AMRGPRX4MMP2MMP9
SCHEMBL6401597 0.88 CA12 (0.35) MMP2MMP9CYP2A6CHEK1AURKA
SCHEMBL6400972 0.88 CA12 (0.35) MMP2MMP9CYP2A6CHEK1AURKA
SCHEMBL6404830 0.87 MAPT (0.34) MMP2MMP9BRD4
SCHEMBL6404834 0.87 MAPT (0.34) MMP2MMP9BRD4
SCHEMBL6399628 0.85 CA2 (0.36) MMP2MMP9CYP2A6CHEK1AURKA
SCHEMBL6399624 0.85 CA2 (0.36) MMP2MMP9CYP2A6CHEK1AURKA
SCHEMBL6398247 0.85 CYP2A6 (0.34) CYP2A6CHEK1AURKANTRK1MET

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-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
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

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 CSNK2A1 3987/4885CTNNB1 2821/4885WNT3A 2202/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 CSNK2A1 3736/4885CTNNB1 2129/4885WNT3A 2135/4885

“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.