SCHEMBL6406008

SCHEMBL6406008

CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CS(=O)(=O)Cc1ccc2sccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.48
PPARG P37231 2/20 0.44
CTSS P25774 2/20 0.44
SYK P43405 1/20 0.39
ATM Q13315 3/20 0.39
KLK7 P49862 2/20 0.38
KLK5 Q9Y337 2/20 0.38
RAB9A P51151 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36

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
SCHEMBL6406011 1.00 PPARA (0.48) PPARAPPARGCTSSSYKATM
SCHEMBL6609776 0.84 MRGPRX4 (0.39) CA12CA1CA7KMT2AMEN1
SCHEMBL6605788 0.83 PTPRB (0.42) CTSSATMRAB9ACA12CA1
SCHEMBL6605782 0.83 PTPRB (0.42) CTSSATMRAB9ACA12CA1
SCHEMBL6399531 0.81 CA2 (0.38) CTSSATMCA1CA7MAPT
SCHEMBL6406882 0.80 CTSS (0.34) CTSSCA12L3MBTL1CTSBALDH1A1
SCHEMBL6406886 0.80 CTSS (0.34) CTSSCA12L3MBTL1CTSBALDH1A1
SCHEMBL6401305 0.79 PTPRB (0.40) CTSSATMRAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL6404626 0.77 CYP2A6 (0.39) CA12CA1CA7HPGD
Hydrochloric Acid SCHEMBL6404633 0.77 CYP2A6 (0.39) CA12CA1CA7HPGD

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 3 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

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 PPARA 4618/4885PPARG 4606/4885CTSS 624/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 PPARA 4589/4885PPARG 4630/4885CTSS 807/4885

“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.