SCHEMBL1594854

SCHEMBL1594854

COC(=O)C(Cc1ccc(C(C)(F)F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 1/20 0.50
PPARG P37231 8/20 0.42
PPARD Q03181 5/20 0.42
PPARA Q07869 5/20 0.42
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
LDHA P00338 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KLK5 Q9Y337 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL1594856 1.00 PTPRB (0.50) PTPRBPPARGPPARDPPARAITGA4
SCHEMBL2079467 0.92 PTPRB (0.47) PTPRBPPARGPPARDPPARAITGA4
SCHEMBL2079468 0.92 PTPRB (0.47) PTPRBPPARGPPARDPPARAITGA4
Iodide SCHEMBL5132915 0.90 PTPRB (0.46) PTPRBPPARGPPARDPPARAITGA4
SCHEMBL28046631 0.83 LDHA (0.59) PTPRBPPARGPPARDPPARAITGA4
SCHEMBL17202990 0.82 ITGA4 (0.54) PTPRBPPARGPPARDPPARAITGA4
SCHEMBL1594302 0.82 PTPRB (0.48) PTPRBPPARGPPARDPPARAITGA4
SCHEMBL1594305 0.82 PTPRB (0.48) PTPRBPPARGPPARDPPARAITGA4
SCHEMBL18328239 0.81 PTPRB (0.55) PTPRBPPARGPPARDPPARALDHA
SCHEMBL1742410 0.80 KLK5 (0.55) 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 2 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

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 PTPRB 885/4885PPARG 361/4885PPARD 419/4885

“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.