SCHEMBL6400860

SCHEMBL6400860

O=CN(O)[C@H](CS(=O)(=O)Cc1ccc2sccc2c1)c1cccc(O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.34
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
CDK8 P49336 1/20 0.32
GSK3B P49841 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
RPS6KA3 P51812 1/20 0.32
LIMK1 P53667 1/20 0.32
CDK5 Q00535 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
SCHEMBL6400863 1.00 CYP2A6 (0.34) CYP2A6CHEK1AURKANTRK1MET
SCHEMBL6400319 0.90 MMP2 (0.39) CYP2A6CHEK1AURKANTRK1MET
SCHEMBL6399715 0.90 MMP2 (0.39) CYP2A6CHEK1AURKANTRK1MET
SCHEMBL6404841 0.89 OPRM1 (0.34) CYP2A6MRGPRX4MMP2MMP9TPSAB1
SCHEMBL6404846 0.89 OPRM1 (0.34) CYP2A6MRGPRX4MMP2MMP9TPSAB1
SCHEMBL6429202 0.87 CA12 (0.34) CYP2A6MRGPRX4MMP2MMP9
SCHEMBL6429205 0.87 CA12 (0.34) CYP2A6MRGPRX4MMP2MMP9
SCHEMBL6398247 0.85 CYP2A6 (0.34) CYP2A6CHEK1AURKANTRK1MET
SCHEMBL6400730 0.85 CYP2A6 (0.34) CYP2A6CHEK1AURKANTRK1MET
SCHEMBL6400972 0.84 CA12 (0.35) 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 3 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

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 CYP2A6 486/4885CHEK1 2235/4885AURKA 4645/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 CYP2A6 459/4885CHEK1 2576/4885AURKA 4704/4885

“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.