SCHEMBL6399531

SCHEMBL6399531

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.38
PTPRB P23467 9/20 0.38
CA1 P00915 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CYP2A6 P11509 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
JAK2 O60674 1/20 0.35
S1PR4 O95977 1/20 0.35
F2 P00734 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6605782 0.85 PTPRB (0.42) PTPRBCA1CA7MAPTATM
SCHEMBL6605788 0.85 PTPRB (0.42) PTPRBCA1CA7MAPTATM
SCHEMBL6406011 0.81 PPARA (0.48) PTPRBCA1CA7MAPTATM
SCHEMBL6406008 0.81 PPARA (0.48) PTPRBCA1CA7MAPTATM
SCHEMBL6400628 0.81 CYP2A6 (0.43) CA2CYP2A6MMP2MMP13
SCHEMBL6399773 0.81 CYP2A6 (0.43) CA2CYP2A6MMP2MMP13
SCHEMBL6403191 0.81 PPARG (0.45) CA2PTPRBCYP2A6CTSBCTSS
SCHEMBL6401305 0.81 PTPRB (0.40) PTPRBMAPTATMCTSBCTSS
SCHEMBL15485753 0.75 ROCK2 (0.45) CYP2A6
SCHEMBL6404068 0.75 CYP2A6 (0.44) CA2CYP2A6MMP2MMP13HPGD

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 5 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 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 CA2 1247/4885PTPRB 1371/4885CA1 1017/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 CA2 1162/4885PTPRB 1874/4885CA1 659/4885

“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.