SCHEMBL6504238

SCHEMBL6504238

CC(C)(C)OC(=O)NC(CC(C)(C)c1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.55
PPARG P37231 7/20 0.55
ACE P12821 1/20 0.54
PPARD Q03181 2/20 0.53
IDO1 P14902 1/20 0.51
CTSK P43235 7/20 0.50
CTSS P25774 6/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
ATM Q13315 1/20 0.49

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
SCHEMBL6686979 0.81 ATM (0.50) PPARAPPARGACEPPARDCTSK
SCHEMBL13342853 0.81 PPARA (0.59) PPARAPPARGACEPPARDIDO1
SCHEMBL32672499 0.81 PPARA (0.56) PPARAPPARGACEPPARDIDO1
SCHEMBL29401069 0.81 PPARA (0.59) PPARAPPARGACEPPARDIDO1
SCHEMBL619354 0.80 PPARA (0.61) PPARAPPARGACEPPARDIDO1
SCHEMBL1530926 0.80 PPARA (0.61) PPARAPPARGACEPPARDIDO1
SCHEMBL21084961 0.80 PPARA (0.61) PPARAPPARGACEPPARDIDO1
SCHEMBL21473784 0.79 ACE (0.79) PPARAPPARGACEPPARDCTSK
SCHEMBL795685 0.79 ACE (0.79) PPARAPPARGACEPPARDCTSK
SCHEMBL66220 0.79 ACE (0.79) PPARAPPARGACEPPARDCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936606-B2 Cyanoamido-containing heterocyclic compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-30 US disclosed
EP-1434769-A2 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-07-07 EP disclosed
US-20040063679-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. 2004-04-01 US disclosed
WO-2003029200-A2 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-04-10 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 (1 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-20040063679-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB PPARA 4339/4885PPARG 3623/4885ACE 413/4885

“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.