SCHEMBL2230694

SCHEMBL2230694

CC(C)(C)OC(=O)NC(C=O)COCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.63
CTSS P25774 3/20 0.60
PPARG P37231 1/20 0.58
CTSK P43235 8/20 0.53
ATM Q13315 1/20 0.51
KLK7 P49862 2/20 0.50
KLK5 Q9Y337 2/20 0.50
CTSB P07858 3/20 0.49
CTSL P07711 2/20 0.49
SYK P43405 1/20 0.48
RAB9A P51151 1/20 0.46

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
SCHEMBL271394 1.00 PPARA (0.63) PPARACTSSPPARGCTSKATM
SCHEMBL4126013 1.00 PPARA (0.63) PPARACTSSPPARGCTSKATM
SCHEMBL6043443 0.89 PPARA (0.57) PPARACTSSPPARGCTSKATM
SCHEMBL27422193 0.89 PPARA (0.65) PPARACTSSPPARGCTSKATM
SCHEMBL6043704 0.87 PPARA (0.55) PPARACTSSPPARGCTSKATM
SCHEMBL6043402 0.87 PPARA (0.55) PPARACTSSPPARGCTSKATM
SCHEMBL22980587 0.86 PPARA (0.63) PPARACTSSPPARGCTSKATM
SCHEMBL22980586 0.86 PPARA (0.63) PPARACTSSPPARGCTSKATM
SCHEMBL28763859 0.84 PPARA (0.60) PPARACTSSPPARGCTSKATM
SCHEMBL22990674 0.84 PPARA (0.60) PPARACTSSPPARGCTSKATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895497-B2 Cathepsin S inhibitors DCB-USA, LLC (US) 2014-11-25 US disclosed
US-20110166141-A1 CATHEPSIN S INHIBITORS DCB-USA, LLC (US) 2011-07-07 US disclosed
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US disclosed
EP-1993820-A2 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS Abbott Laboratories (US) 2008-11-26 EP disclosed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US disclosed
WO-2007103670-A2 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2007-09-13 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-20080009490-A1 Hiv Integrase Inhibitors TYMS, UNG, TYMP PPARA 4759/4885CTSS 1861/4885PPARG 4662/4885
US-20110166141-A1 CATHEPSIN S INHIBITORS CTSS, CTSV, CTSB PPARA 3183/4885CTSS 1/4885PPARG 1216/4885

“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.