SCHEMBL12706232

SCHEMBL12706232

CC(C)(C)OC(=O)N[C@H](CCC(=O)NN)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.41
ACE P12821 1/20 0.40
CTSS P25774 4/20 0.40
CTSK P43235 4/20 0.40
FFAR2 O15552 3/20 0.40
CYP3A4 P08684 1/20 0.39
APP P05067 4/20 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
SCHEMBL12706234 0.91 PPARG (0.45) PPARGPPARAATMALDH1A1ACE
SCHEMBL2549195 0.89 PPARG (0.47) PPARGPPARAATMACECTSS
SCHEMBL2549196 0.89 PPARG (0.47) PPARGPPARAATMACECTSS
SCHEMBL1519701 0.87 ATM (0.51) PPARGPPARAATMACECTSS
SCHEMBL13286104 0.87 PPARG (0.46) PPARGPPARAATMACECTSS
SCHEMBL12765909 0.86 PPARG (0.50) PPARGPPARAATMCTSSCTSK
SCHEMBL13970938 0.86 PPARG (0.49) PPARGPPARAATMACECTSS
SCHEMBL20415728 0.85 ATM (0.46) PPARGPPARAATMALDH1A1ACE
SCHEMBL4659427 0.85 ATM (0.50) PPARGPPARAATMACECTSS
SCHEMBL14430204 0.85 ATM (0.50) PPARGPPARAATMACECTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 US disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 US disclosed
WO-2009011871-A2 THIADIAZOLE MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 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-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR PPARG 361/4885PPARA 781/4885ATM 317/4885

“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.