SCHEMBL6607717

SCHEMBL6607717

O=CN(O)[C@@H](COCc1ccccc1)CS(=O)(=O)Cc1ccc2sccc2c1.O=S(=O)(Cc1ccc2sccc2c1)C[C@H](COCc1ccccc1)NO

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL6402200 0.93 MRGPRX4 (0.35) MRGPRX4SIGMAR1CTNNB1WNT3A
SCHEMBL6609776 0.90 MRGPRX4 (0.39) MRGPRX4SIGMAR1TDP1CTNNB1WNT3A
SCHEMBL6607714 0.86 MRGPRX4 (0.32) MRGPRX4TDP1
SCHEMBL6399127 0.81 ADRB3 (0.36) MRGPRX4SIGMAR1CTNNB1WNT3A
SCHEMBL6606835 0.81 ADRB3 (0.36) MRGPRX4SIGMAR1CTNNB1WNT3A
SCHEMBL6405750 0.78 HPGD (0.38) SIGMAR1
SCHEMBL6405755 0.78 HPGD (0.38) SIGMAR1
SCHEMBL6406882 0.77 CTSS (0.34) MRGPRX4TDP1CTNNB1WNT3A
SCHEMBL6406886 0.77 CTSS (0.34) MRGPRX4TDP1CTNNB1WNT3A
SCHEMBL6406008 0.76 PPARA (0.48)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MRGPRX4 1739/4885SIGMAR1 809/4885TDP1 3282/4885

“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.