SCHEMBL8714236

SCHEMBL8714236

CC(C)c1ccc2c(c1)NC(=O)C2=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.55
TGM2 P21980 6/20 0.53
MAOA P21397 6/20 0.50
MAOB P27338 6/20 0.50
HPGD P15428 1/20 0.44
GFER P55789 1/20 0.44
HSD17B10 Q99714 1/20 0.44
BCHE P06276 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
IGF1R P08069 1/20 0.42
PDGFRB P09619 1/20 0.42
GLB1 P16278 1/20 0.42
CTRC Q99895 1/20 0.42

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
SCHEMBL22928677 0.86 CES1 (0.51) CES1TGM2MAOAMAOBBCHE
SCHEMBL4444879 0.85 TGM2 (0.55) CES1TGM2MAOAMAOBHPGD
SCHEMBL22961903 0.85 HPGD (0.44) CES1TGM2MAOAMAOBHPGD
SCHEMBL22525915 0.83 CASP3 (0.50) CES1TGM2MAOAMAOBHPGD
SCHEMBL23560416 0.82 HPGD (0.49) CES1TGM2MAOAMAOBHPGD
SCHEMBL11701612 0.82 HPGD (0.42) CES1TGM2MAOAMAOBHPGD
SCHEMBL2705692 0.82 CSNK1G1 (0.49) HPGDGFERHSD17B10LMNAEGFR
SCHEMBL12120558 0.82 HPGD (0.42) CES1TGM2MAOAMAOBHPGD
SCHEMBL22525914 0.81 CASP3 (0.53) MAOAMAOBHPGDGFERHSD17B10
SCHEMBL2756590 0.79 CSNK1G1 (0.61) HPGDGFERHSD17B10LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637549-B2 Pyridons as PDK1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 US disclosed
US-8637549-B2 Pyridons as PDK1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 US disclosed
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-5773613-A HEAT AND WEAR RESISTANT; DURABILITY MITA INDUSTRIAL CO., LTD. (JP) 1998-06-30 US disclosed
EP-0718298-A1 Electron transporting tryptoanthrinime derivatives MITA INDUSTRIAL CO. LTD. (JP) 1996-06-26 EP 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 (2 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-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS PDK2, PDK4, CCNH CES1 2364/4885TGM2 2445/4885MAOA 1791/4885
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS PDK1, PDK2, PDK4 CES1 1281/4885TGM2 3013/4885MAOA 1965/4885

“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.