SCHEMBL3638236

SCHEMBL3638236

COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](OC)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
NOS3 P29474 3/20 0.41
NOS1 P29475 3/20 0.41
NOS2 P35228 3/20 0.41
PDE2A O00408 2/20 0.38
PSENEN Q9NZ42 1/20 0.38
KLK5 Q9Y337 1/20 0.38
LDHA P00338 2/20 0.36
LDHB P07195 2/20 0.36
TRPA1 O75762 2/20 0.36
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
MAPT P10636 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL12706237 1.00 PPARG (0.43) PPARGPPARANOS3NOS1NOS2
SCHEMBL3638238 1.00 PPARG (0.43) PPARGPPARANOS3NOS1NOS2
SCHEMBL1595931 0.90 PPARG (0.47) PPARGPPARATRPA1GABRB1GABRB2
SCHEMBL12241677 0.86 PPARG (0.39) PPARGPPARANOS3NOS1NOS2
SCHEMBL1742052 0.86 PPARG (0.39) PPARGPPARANOS3NOS1NOS2
SCHEMBL1742055 0.86 PPARG (0.39) PPARGPPARANOS3NOS1NOS2
SCHEMBL16295895 0.84 CTSK (0.48) PPARGPPARAKLK5GABRB1GABRB2
SCHEMBL1594262 0.82 LDHA (0.39) PPARGPPARANOS3NOS1NOS2
SCHEMBL16633977 0.82 PDE2A (0.51) PPARGPPARANOS3NOS1NOS2
SCHEMBL1594263 0.82 LDHA (0.39) PPARGPPARANOS3NOS1NOS2

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 5 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
EP-2167504-A2 THIADIAZOLE MODULATORS OF PKB Amgen, Inc (US) 2010-03-31 EP 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
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 781/4885NOS3 1354/4885

“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.