SCHEMBL6399534

SCHEMBL6399534

COc1ccc([C@@H](CS(=O)(=O)Cc2ccc3occc3c2)N(O)C=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.36
CA2 P00918 7/20 0.36
CA12 O43570 5/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
ALDH1A1 P00352 1/20 0.33
FFAR1 O14842 1/20 0.32
MAPT P10636 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
PTPN1 P18031 1/20 0.32
SLC2A1 P11166 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
SCHEMBL6399540 1.00 HTR1B (0.36) HTR1BCA2CA12MMP2MMP9
SCHEMBL6400988 0.87 MMP2 (0.39) HTR1BCA2CA12MMP2MMP9
SCHEMBL6404097 0.87 MMP2 (0.39) HTR1BCA2CA12MMP2MMP9
SCHEMBL6984152 0.81 HTR1B (0.38) HTR1BCA2CA12MMP9SIRT2
SCHEMBL6605842 0.81 KMT2A (0.34) CA2ALDH1A1MAPT
SCHEMBL6400527 0.81 KMT2A (0.34) CA2ALDH1A1MAPT
SCHEMBL6400525 0.81 KMT2A (0.34) CA2ALDH1A1MAPT
SCHEMBL6399628 0.81 CA2 (0.36) CA2CA12MMP2MMP9ALDH1A1
SCHEMBL6399624 0.81 CA2 (0.36) CA2CA12MMP2MMP9ALDH1A1
SCHEMBL6406333 0.79 MMP2 (0.36) CA2MMP2MMP9ALDH1A1SLC2A1

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 8 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
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 HTR1B 908/4885CA2 1247/4885CA12 158/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 HTR1B 560/4885CA2 1162/4885CA12 132/4885

“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.