SCHEMBL6429202

SCHEMBL6429202

COc1cccc([C@@H](CS(=O)(=O)Cc2ccc3sccc3c2)N(O)C=O)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA2 P00918 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
PDE10A Q9Y233 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
AOC3 Q16853 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2A6 P11509 1/20 0.32
PPARG P37231 2/20 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
SCHEMBL6429205 1.00 CA12 (0.34) CA12CA2CHRM2CHRM1CHRM3
SCHEMBL6399628 0.90 CA2 (0.36) CA12CA2MMP2MMP9PDE10A
SCHEMBL6399624 0.90 CA2 (0.36) CA12CA2MMP2MMP9PDE10A
SCHEMBL6400863 0.87 CYP2A6 (0.34) MMP2MMP9MRGPRX4CYP2A6
SCHEMBL6400860 0.87 CYP2A6 (0.34) MMP2MMP9MRGPRX4CYP2A6
SCHEMBL6400319 0.86 MMP2 (0.39) CA12CA2MEN1KMT2AMMP2
SCHEMBL6399715 0.86 MMP2 (0.39) CA12CA2MEN1KMT2AMMP2
SCHEMBL6404846 0.86 OPRM1 (0.34) CA12CA2MMP2MMP9MRGPRX4
SCHEMBL6404841 0.86 OPRM1 (0.34) CA12CA2MMP2MMP9MRGPRX4
SCHEMBL6606256 0.85 CA2 (0.33) CA12CA2MMP2MMP9PDE10A

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 CA12 158/4885CA2 1247/4885CHRM2 1347/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 CA12 132/4885CA2 1162/4885CHRM2 1996/4885

“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.