SCHEMBL6405762

SCHEMBL6405762

CC(C)OCCC(N(O)C=O)S(=O)(=O)Cc1ccc2sccc2c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
CYP2A6 P11509 2/20 0.34
CA2 P00918 5/20 0.33
CA12 O43570 4/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
PDE10A Q9Y233 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.30
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 1/20 0.30
CTNNB1 P35222 2/20 0.30
WNT3A P56704 2/20 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
SCHEMBL6398835 0.91 HDAC3 (0.33) SIGMAR1MMP2MMP13PER2CRY1
SCHEMBL6399308 0.88 MMP2 (0.42) SIGMAR1MMP2MMP13CYP2A6CA2
SCHEMBL6403070 0.84 MMP2 (0.38) SIGMAR1MMP2MMP13CYP2A6CA2
SCHEMBL6608273 0.84 CYP2A6 (0.40) SIGMAR1MMP2MMP13CYP2A6CA2
SCHEMBL6399501 0.84 CYP2A6 (0.36) SIGMAR1MMP2MMP13CYP2A6CA2
SCHEMBL6399129 0.82 CTNNB1 (0.38) SIGMAR1MMP2MMP13CYP2A6CA2
SCHEMBL6988385 0.80 CYP2A6 (0.36) SIGMAR1MMP2MMP13CYP2A6CA2
SCHEMBL6405750 0.78 HPGD (0.38) SIGMAR1MMP2MMP13CYP2A6CA2
SCHEMBL6405755 0.78 HPGD (0.38) SIGMAR1MMP2MMP13CYP2A6CA2
SCHEMBL6606374 0.78 KDM4E (0.37) MMP2MMP13PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SIGMAR1 914/4885MMP2 2931/4885MMP13 469/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 SIGMAR1 809/4885MMP2 2846/4885MMP13 559/4885

“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.