SCHEMBL2575774

SCHEMBL2575774

CC(C)N(CC(C(=O)O)c1ccc(F)c(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.39
AKR1C3 P42330 10/20 0.37
AKR1C2 P52895 10/20 0.37
MME P08473 1/20 0.37
PDPK1 O15530 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
KCNQ2 O43526 1/20 0.35
AKR1B10 O60218 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C1 Q04828 1/20 0.33

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
SCHEMBL2573285 0.86 PTGS1 (0.36) MMEITGB1ITGA4
SCHEMBL30571417 0.84 POLB (0.45) ITGB1ITGA4
SCHEMBL191131 0.84 POLB (0.45) ITGB1ITGA4
SCHEMBL191130 0.84 POLB (0.45) ITGB1ITGA4
SCHEMBL16719281 0.84 POLB (0.45) ITGB1ITGA4
SCHEMBL16719301 0.83 POLB (0.44) ITGB1ITGA4
SCHEMBL16719299 0.83 POLB (0.44) ITGB1ITGA4
SCHEMBL25292817 0.75 APP (0.41) APPAKR1C3AKR1C2ITGB1ITGA4
SCHEMBL191358 0.72 L3MBTL1 (0.49) APP
SCHEMBL16719300 0.72 L3MBTL1 (0.36) APP

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 APP 4191/4885AKR1C3 2701/4885AKR1C2 1919/4885

“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.