SCHEMBL2162954

SCHEMBL2162954

O=C(O)[C@@H](O)CSCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.52
ACE P12821 2/20 0.49
PPARA Q07869 3/20 0.46
PPARG P37231 2/20 0.46
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
METAP2 P50579 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
SCHEMBL5846128 1.00 CYP2C19 (0.52) CYP2C19ACEPPARAPPARGCYP1A2
SCHEMBL723034 1.00 CYP2C19 (0.52) CYP2C19ACEPPARAPPARGCYP1A2
SCHEMBL5418068 0.82 CYP1A2 (0.55) CYP2C19ACEPPARAPPARGCYP1A2
SCHEMBL723068 0.81 CYP2C19 (0.58) CYP2C19ACECYP1A2ALDH1A1HPGD
SCHEMBL2164032 0.81 METAP2 (0.50) CYP2C19ACEPPARAPPARGMETAP2
SCHEMBL2164026 0.81 METAP2 (0.50) CYP2C19ACEPPARAPPARGMETAP2
SCHEMBL31478099 0.79 CYP2C19 (0.48) CYP2C19ACECYP1A2ALDH1A1HPGD
SCHEMBL9574275 0.79 CYP2C19 (0.48) CYP2C19ACEPPARAPPARGCYP1A2
SCHEMBL11713290 0.79 CYP2D6 (0.52) CYP2C19ACECYP1A2
SCHEMBL1741031 0.79 ACE (0.58) CYP2C19ACEPPARAPPARGMETAP2

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 34 patents — showing the first 20. 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-7985749-B2 Compounds and compositions as cathepsin S inhibitors NOVARTIS AG (CH) 2011-07-26 US disclosed
CN-1976710-B Compounds and compositions as cathepsin S inhibitors IRM LLC 2011-03-30 CN disclosed
US-20100204200-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2010-08-12 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
US-7732449-B2 Inhibitors of cathepsin S IRM LLC (BM) 2010-06-08 US disclosed
CN-1976710-A Compounds and compositions as cathepsin S inhibitors IRM LLC (BM) 2007-06-06 CN disclosed
EP-1744755-A2 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM, LLC (BM) 2007-01-24 EP disclosed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP disclosed
WO-2005107464-A2 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2005-11-17 WO 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
EP-0535042-B1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1995-03-29 EP disclosed
US-5348978-A Angiotensin converting enzyme inhibitors FISONS PLC (GB) 1994-09-20 US disclosed
EP-0535042-A1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS. FISONS PLC (GB) 1993-04-07 EP disclosed
WO-1992000276-A2 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1992-01-09 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 (3 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-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CYP2C19 3246/4885ACE 96/4885PPARA 3398/4885
US-20110245243-A1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS CTSS, CTSB, CTSF CYP2C19 1135/4885ACE 48/4885PPARA 1730/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV CYP2C19 350/4885ACE 463/4885PPARA 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.