SCHEMBL972772

SCHEMBL972772

COC(C)C(=O)CC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.58
CES2 O00748 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GPR139 Q6DWJ6 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
CCR2 P41597 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
P2RX1 P51575 1/20 0.45
LMNA P02545 1/20 0.45
ACHE P22303 1/20 0.44
TP53BP1 Q12888 1/20 0.44

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
SCHEMBL4974963 0.86 NPSR1 (0.60) NPSR1CES2TAS1R3TAS1R1ALDH1A1
SCHEMBL1350296 0.81 CES2 (0.57) NPSR1CES2TAS1R3TAS1R1ALDH1A1
SCHEMBL449754 0.81 NPSR1 (0.57) NPSR1CES2TAS1R3TAS1R1ALDH1A1
SCHEMBL30758861 0.81 CES2 (0.69) NPSR1CES2TAS1R3TAS1R1ALDH1A1
SCHEMBL10960536 0.79 NPSR1 (0.55) NPSR1CES2TAS1R3TAS1R1ALDH1A1
SCHEMBL9536997 0.78 CES2 (0.61) NPSR1CES2TAS1R3TAS1R1ALDH1A1
SCHEMBL25308923 0.78 NPSR1 (0.54) NPSR1CES2TAS1R3TAS1R1ALDH1A1
SCHEMBL13222715 0.77 NPSR1 (0.59) NPSR1CES2TAS1R3TAS1R1ALDH1A1
SCHEMBL5369280 0.77 CES2 (0.59) NPSR1CES2TAS1R3TAS1R1ALDH1A1
SCHEMBL1421024 0.76 CES2 (0.62) NPSR1CES2TAS1R3TAS1R1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703793-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
US-8703793-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
US-8703793-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
EP-2268644-B1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2011-08-17 EP disclosed
US-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
EP-2268644-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION Boehringer Ingelheim International GmbH (DE) 2011-01-05 EP disclosed
WO-2009109549-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-11 WO disclosed
WO-2009109549-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-11 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-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation COQ8A, TNNT2, TBXA2R NPSR1 555/4885CES2 1200/4885TAS1R3 1489/4885

“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.