SCHEMBL5744544

SCHEMBL5744544

CC(C)(C)OC(=O)N[C@H](c1ccccc1)[C@H](O)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.46
CTSS P25774 4/20 0.46
MAPT P10636 2/20 0.42
PPARA Q07869 2/20 0.41
ATM Q13315 2/20 0.41
KLK5 Q9Y337 1/20 0.40
PPARG P37231 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL15631931 1.00 CTSK (0.46) CTSKCTSSMAPTPPARAATM
SCHEMBL12241566 0.89 PPARA (0.39) CTSKCTSSMAPTPPARAATM
SCHEMBL17923300 0.87 ADRB2 (0.37) ATM
SCHEMBL17923332 0.87 ADRB2 (0.37) ATM
SCHEMBL12056440 0.86 PPARG (0.41) CTSKCTSSPPARAPPARG
SCHEMBL10209755 0.84 CTSK (0.46) CTSKCTSSMAPTPPARAATM
SCHEMBL5743759 0.84 CTSK (0.42) CTSKCTSSMAPTPPARAATM
SCHEMBL754624 0.82 CTSK (0.44) CTSKCTSSMAPTPPARAATM
SCHEMBL6476412 0.82 CTSK (0.52) CTSKCTSSMAPTPPARAATM
SCHEMBL8011918 0.82 CTSK (0.52) CTSKCTSSMAPTPPARAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447090-B2 Imidazopyridine compounds ASTELLAS PHARMA INC. (JP) 2016-09-20 US disclosed
US-20140088080-A1 IMIDAZOPYRIDINE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2014-03-27 US disclosed
EP-1358183-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2006-04-12 EP disclosed
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 US disclosed
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 US disclosed
US-20040229915-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2004-11-18 US disclosed
EP-1413580-A1 Furanone derivatives as inhibitors of Cathepsin S Medivir UK Ltd (GB) 2004-04-28 EP disclosed
EP-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP disclosed
US-20030203900-A1 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2003-10-30 US disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 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 (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-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ CTSK 4/4885CTSS 2/4885MAPT 4858/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS CTSK 5/4885CTSS 3/4885MAPT 4807/4885
US-20050020588-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CTSK 4/4885CTSS 1/4885MAPT 4747/4885
US-20140088080-A1 IMIDAZOPYRIDINE COMPOUNDS GUCY1A1, PDE2A, GUCY1A2 CTSK 4036/4885CTSS 4449/4885MAPT 4789/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK CTSK 3/4885CTSS 4/4885MAPT 4777/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CTSK 4/4885CTSS 1/4885MAPT 4747/4885

“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.