SCHEMBL2164032

SCHEMBL2164032

COC(=O)C(O)CSCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
PPARA Q07869 4/20 0.47
PPARG P37231 2/20 0.47
ACE P12821 2/20 0.47
MAPT P10636 2/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.43

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
SCHEMBL2164026 1.00 METAP2 (0.50) METAP2L3MBTL1PPARAPPARGACE
SCHEMBL9207368 0.83 METAP2 (0.46) METAP2L3MBTL1PPARAPPARGACE
SCHEMBL4141148 0.83 METAP2 (0.52) METAP2L3MBTL1PPARAPPARGACE
SCHEMBL10980774 0.83 METAP2 (0.46) METAP2L3MBTL1PPARAPPARGACE
SCHEMBL2553802 0.83 METAP2 (0.52) METAP2L3MBTL1PPARAPPARGACE
SCHEMBL1839764 0.83 METAP2 (0.52) METAP2L3MBTL1PPARAPPARGACE
Hydrochloric Acid SCHEMBL2971264 0.81 METAP2 (0.51) METAP2L3MBTL1PPARAPPARGACE
Hydrochloric Acid SCHEMBL3119114 0.81 METAP2 (0.51) METAP2L3MBTL1PPARAPPARGACE
Hydrochloric Acid SCHEMBL4141147 0.81 METAP2 (0.51) METAP2L3MBTL1PPARAPPARGACE
SCHEMBL5846128 0.81 CYP2C19 (0.52) METAP2PPARAPPARGACECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 EP disclosed
US-8268996-B2 Compounds and compositions as cathepsin S inhibitors IRM LLC (BM) 2012-09-18 US disclosed
US-20110245243-A1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS NOVARTIS AG 2011-10-06 US disclosed
US-7985749-B2 Compounds and compositions as cathepsin S inhibitors NOVARTIS AG (CH) 2011-07-26 US disclosed
US-20100204200-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2010-08-12 US disclosed
US-7732449-B2 Inhibitors of cathepsin S IRM LLC (BM) 2010-06-08 US disclosed
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP disclosed
US-20090137570-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-05-28 US disclosed
US-7501408-B2 Inhibitors of cathepsin S IRM LLC (BM) 2009-03-10 US disclosed
US-20080108595-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-05-08 US disclosed
US-7314872-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-01-01 US disclosed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 US disclosed
EP-1658267-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-08-01 EP disclosed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP disclosed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 US disclosed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 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 (6 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-20090137570-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ METAP2 234/4885L3MBTL1 1831/4885PPARA 3398/4885
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSF METAP2 464/4885L3MBTL1 2898/4885PPARA 1730/4885
US-20080108595-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ METAP2 234/4885L3MBTL1 1831/4885PPARA 3398/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ METAP2 234/4885L3MBTL1 1831/4885PPARA 3398/4885
US-20110245243-A1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS CTSS, CTSB, CTSF METAP2 464/4885L3MBTL1 2898/4885PPARA 1730/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV METAP2 1420/4885L3MBTL1 2956/4885PPARA 2508/4885

“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.