SCHEMBL6402204

SCHEMBL6402204

O=CN(O)C(CCS(=O)(=O)Cc1ccc2sccc2c1)OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.35
SLC1A3 P43003 3/20 0.34
SLC1A2 P43004 3/20 0.34
SLC1A1 P43005 3/20 0.34
SIGMAR1 Q99720 2/20 0.34
CYP2A6 P11509 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
CA12 O43570 3/20 0.33
CA2 P00918 3/20 0.33
ADRB3 P13945 1/20 0.31
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31

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
SCHEMBL6609779 0.82 MRGPRX4 (0.38) MRGPRX4SLC1A3SLC1A2SLC1A1SIGMAR1
SCHEMBL6402200 0.80 MRGPRX4 (0.35) MRGPRX4SIGMAR1CYP2A6MEN1KMT2A
SCHEMBL6606835 0.78 ADRB3 (0.36) MRGPRX4SIGMAR1CYP2A6MEN1KMT2A
SCHEMBL6399127 0.78 ADRB3 (0.36) MRGPRX4SIGMAR1CYP2A6MEN1KMT2A
SCHEMBL6399715 0.77 MMP2 (0.39) MRGPRX4SIGMAR1CYP2A6MEN1KMT2A
SCHEMBL6400319 0.77 MMP2 (0.39) MRGPRX4SIGMAR1CYP2A6MEN1KMT2A
SCHEMBL6399129 0.76 CTNNB1 (0.38) MRGPRX4SIGMAR1CYP2A6MEN1KMT2A
SCHEMBL6607717 0.75 MRGPRX4 (0.33) MRGPRX4SIGMAR1CTNNB1WNT3A
SCHEMBL6399081 0.74 ADRB3 (0.30) MRGPRX4ADRB3
SCHEMBL6608264 0.74 CYP2A6 (0.40) SIGMAR1CYP2A6CTNNB1WNT3ACA12

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 MRGPRX4 1566/4885SLC1A3 224/4885SLC1A2 1605/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MRGPRX4 1739/4885SLC1A3 175/4885SLC1A2 1227/4885

“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.