SCHEMBL2573285

SCHEMBL2573285

CC(C)N(CC(C(=O)O)c1ccc(F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
MME P08473 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
KDM4E B2RXH2 1/20 0.33
AOC3 Q16853 1/20 0.33
MMP13 P45452 1/20 0.32

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
SCHEMBL16719281 0.87 POLB (0.45) GAAALDH1A1L3MBTL1ITGB1ITGA4
SCHEMBL191131 0.87 POLB (0.45) GAAALDH1A1L3MBTL1ITGB1ITGA4
SCHEMBL30571417 0.87 POLB (0.45) GAAALDH1A1L3MBTL1ITGB1ITGA4
SCHEMBL191130 0.87 POLB (0.45) GAAALDH1A1L3MBTL1ITGB1ITGA4
SCHEMBL2575774 0.86 APP (0.39) MMEITGB1ITGA4
SCHEMBL16719301 0.86 POLB (0.44) GAAALDH1A1L3MBTL1HTTITGB1
SCHEMBL16719299 0.86 POLB (0.44) GAAALDH1A1L3MBTL1HTTITGB1
SCHEMBL2575960 0.75 GAA (0.42) PTGS1PTGS2CTSSCTSKGAA
SCHEMBL16719300 0.75 L3MBTL1 (0.36) GAAL3MBTL1
SCHEMBL21485111 0.75 L3MBTL1 (0.36) GAAL3MBTL1

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-9303040-B2 Substituted piperazines as AKT inhibitors ARRAY BIOPHARMA INC. (US) 2016-04-05 US disclosed
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-12-27 US disclosed
EP-2054418-B1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-11-09 EP disclosed
EP-2054418-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-05-06 EP disclosed
WO-2008006039-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 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-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DTYMK, TK1, PIK3CA PTGS1 3355/4885PTGS2 3329/4885NPSR1 4494/4885

“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.