SCHEMBL4677441

SCHEMBL4677441

Cc1c(O)cc2c(c1C)OC(C)(CCC=O)CC2

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.65
PDPK1 O15530 2/20 0.65
PHLPP1 O60346 2/20 0.65
ILK Q13418 2/20 0.65
ALOX5 P09917 11/20 0.64
PTGES O14684 1/20 0.56
NR1I2 O75469 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL16589604 0.88 ALOX5 (0.50) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL17523133 0.86 ALOX5 (0.71) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL12368109 0.86 ALOX5 (0.71) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL14580950 0.84 AKT1 (0.70) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL18212526 0.84 AKT1 (0.70) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL5771546 0.84 AKT1 (0.70) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL5771699 0.83 AKT1 (0.69) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL15044752 0.82 ALOX5 (0.46) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL4677437 0.82 AKT1 (0.65) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL3270839 0.82 AKT1 (0.65) AKT1PDPK1PHLPP1ILKALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392639-B1 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2008-09-17 EP disclosed
US-6916850-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-6900218-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
US-20030013656-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013846-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013847-A1 Cytoprotective agents MONSANTO TECHNOLOGY LLC 2003-01-16 US disclosed
US-20030013657-A1 Pyruvate derivatives MONSANTO TECHNOLOGY, LLC. 2003-01-16 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 (4 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-20030013847-A1 Cytoprotective agents PC, PDK1, PDK2 AKT1 1499/4885PDPK1 285/4885PHLPP1 2393/4885
US-20030013657-A1 Pyruvate derivatives PC, PDK1, PDK4 AKT1 2003/4885PDPK1 249/4885PHLPP1 3347/4885
US-20030013846-A1 Pyruvate derivatives PC, PDK1, PDK4 AKT1 2003/4885PDPK1 249/4885PHLPP1 3347/4885
US-20030013656-A1 Pyruvate derivatives PC, PDK1, PDK4 AKT1 2003/4885PDPK1 249/4885PHLPP1 3347/4885

“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.