SCHEMBL6405750

SCHEMBL6405750

CC(C)OC[C@@H](CS(=O)(=O)Cc1ccc2sccc2c1)N(O)C=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
CYP2A6 P11509 2/20 0.34
MMP2 P08253 2/20 0.34
MMP13 P45452 1/20 0.34
CA2 P00918 5/20 0.33
CA12 O43570 4/20 0.33
MMP9 P14780 1/20 0.32
PDE10A Q9Y233 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 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
SCHEMBL6405755 1.00 HPGD (0.38) HPGDCYP2A6MMP2MMP13CA2
SCHEMBL6398832 0.91 HPGD (0.36) HPGDMMP2MMP13MMP9PDE10A
SCHEMBL6399305 0.87 CYP2A6 (0.36) CYP2A6MMP2MMP13CA2CA12
SCHEMBL6608267 0.84 CYP2A6 (0.40) CYP2A6MMP2MMP13CA2CA12
SCHEMBL6608264 0.84 CYP2A6 (0.40) CYP2A6MMP2MMP13CA2CA12
SCHEMBL6399504 0.84 CYP2A6 (0.36) CYP2A6MMP2MMP13CA2CA12
SCHEMBL6608049 0.84 CYP2A6 (0.36) CYP2A6MMP2MMP13CA2CA12
SCHEMBL6402200 0.83 MRGPRX4 (0.35) HPGDCYP2A6MMP2CA2CA12
SCHEMBL6608461 0.82 CYP2A6 (0.38) CYP2A6MMP2MMP13CA2CA12
SCHEMBL6403067 0.82 CYP2A6 (0.38) CYP2A6MMP2MMP13CA2CA12

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 7 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 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
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO 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 HPGD 1862/4885CYP2A6 486/4885MMP2 2931/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 HPGD 1564/4885CYP2A6 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.