SCHEMBL665034

SCHEMBL665034

CC(CO)(CO)c1ccc(I)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.40
SHBG P04278 1/20 0.35
ESR1 P03372 4/20 0.35
ESR2 Q92731 4/20 0.35
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CYP3A4 P08684 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KLF10 Q13118 1/20 0.32
LMNA P02545 1/20 0.32
TYR P14679 1/20 0.32
AR P10275 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR6 P50406 1/20 0.32
ESRRG P62508 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
SCHEMBL13666515 0.83 CNR1 (0.43) APPSHBGESR1ESR2CNR1
SCHEMBL18545312 0.79 APP (0.39) APPSHBGESR1ESR2HIF1A
SCHEMBL19690199 0.79 APP (0.39) APPSHBGESR1ESR2HIF1A
SCHEMBL26844942 0.78 ESR1 (0.45) APPSHBGESR1ESR2CYP2C19
SCHEMBL25495884 0.78 TSHR (0.52) ESR1ESR2CYP2C19HIF1ACNR1
SCHEMBL1684429 0.76 CYP2A6 (0.38) ESR1ESR2CYP2C19HIF1AKLF10
SCHEMBL2968589 0.76 MAPT (0.43) ESR1ESR2HIF1ACNR1CNR2
SCHEMBL245863 0.75 CYP2C19 (0.58) ESR1ESR2CYP2C19HIF1ACYP3A4
SCHEMBL9567885 0.73 CYP2C9 (0.47) HIF1ASMN1; SMN2LMNATYR
SCHEMBL10963 0.72 APP (0.39) APPSHBGESR1ESR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029544-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-12 US disclosed
US-9029544-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-12 US disclosed
US-9029544-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-12 US disclosed
EP-2536733-B1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2014-11-26 EP disclosed
EP-2536733-B1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2014-11-26 EP disclosed
EP-2675811-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION Boehringer Ingelheim International GmbH (DE) 2013-12-25 EP disclosed
US-20130053404-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 US disclosed
US-20130053404-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 US disclosed
US-20130053404-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 US disclosed
EP-2536733-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION Boehringer Ingelheim International GmbH (DE) 2012-12-26 EP disclosed
WO-2012110599-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 WO disclosed
US-20120046304-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 US disclosed
US-20120046304-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 US disclosed
US-20120046304-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 US disclosed
WO-2011101424-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 WO disclosed
WO-2011101424-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 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 (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-20130053404-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation CETP, MTTP, CES1 APP 1073/4885SHBG 2871/4885ESR1 1015/4885
US-20120046304-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION CETP, MTTP, CES1 APP 1073/4885SHBG 2871/4885ESR1 1015/4885

“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.