SCHEMBL6399127

SCHEMBL6399127

O=CN(O)[C@@H](Cc1ccccc1)CS(=O)(=O)Cc1ccc2sccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.36
CYP2A6 P11509 2/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.33
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPRC P08575 1/20 0.32
PTPN6 P29350 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
SCHEMBL6606835 1.00 ADRB3 (0.36) ADRB3CYP2A6MMP2MMP9CTNNB1
SCHEMBL6402200 0.87 MRGPRX4 (0.35) ADRB3CYP2A6MMP2MMP9CTNNB1
SCHEMBL6399305 0.84 CYP2A6 (0.36) CYP2A6MMP2PER2CRY1CRY2
SCHEMBL6400319 0.84 MMP2 (0.39) ADRB3CYP2A6MMP2MMP9CTNNB1
SCHEMBL6399715 0.84 MMP2 (0.39) ADRB3CYP2A6MMP2MMP9CTNNB1
SCHEMBL6399504 0.83 CYP2A6 (0.36) CYP2A6MMP2PER2CRY1CRY2
SCHEMBL6608049 0.83 CYP2A6 (0.36) CYP2A6MMP2PER2CRY1CRY2
SCHEMBL6405750 0.82 HPGD (0.38) CYP2A6MMP2MMP9PER2CRY1
SCHEMBL6405755 0.82 HPGD (0.38) CYP2A6MMP2MMP9PER2CRY1
SCHEMBL6608264 0.81 CYP2A6 (0.40) CYP2A6MMP2CTNNB1WNT3APER2

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 6 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
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 ADRB3 603/4885CYP2A6 486/4885MMP2 2931/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 ADRB3 783/4885CYP2A6 459/4885MMP2 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.