SCHEMBL1379508

SCHEMBL1379508

CCOC(=O)C(F)C(=O)c1ccncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
FAAH O00519 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
NAMPT P43490 1/20 0.38
NLRP3 Q96P20 1/20 0.36
KMT2A Q03164 2/20 0.36
CDC7 O00311 2/20 0.36
DBF4 Q9UBU7 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRM4 Q14833 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL3567261 0.84 P2RX7 (0.45) P2RX7FAAHCTNNB1WNT3ANAMPT
SCHEMBL11531412 0.82 P2RX7 (0.44) P2RX7FAAHCTNNB1WNT3ANAMPT
SCHEMBL3401108 0.82 P2RX7 (0.44) P2RX7FAAHCTNNB1WNT3ANAMPT
SCHEMBL1380026 0.78 KMT2A (0.45) NAMPTKMT2ACDC7DBF4MEN1
SCHEMBL29508230 0.78 CYP1A2 (0.53) P2RX7FAAHCTNNB1WNT3ANAMPT
SCHEMBL917137 0.78 CYP1A2 (0.53) P2RX7FAAHCTNNB1WNT3ANAMPT
SCHEMBL5558104 0.78 P2RX7 (0.47) P2RX7FAAHCTNNB1WNT3AGRM4
Hydrochloric Acid SCHEMBL4763043 0.77 KMT2A (0.44) NAMPTKMT2ACDC7DBF4MEN1
Hydrochloric Acid SCHEMBL27922723 0.76 CYP1A2 (0.51) P2RX7FAAHCTNNB1WNT3ANAMPT
SCHEMBL27498088 0.75 P2RX7 (0.49) P2RX7FAAHCTNNB1WNT3ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4805809-B2 2011-11-02 JP claimed
EP-1603876-B1 PROCESS FOR THE PREPARATION OF PYRIDINYL AND PYRIMIDINYL MONO-FLUORINATED BETA KETO ESTERS SANOFI AVENTIS (FR) 2007-02-14 EP claimed
US-7135569-B2 Process for the preparation of pyridinyl and pyrimidinyl mono-fluorinated beta keto-esters SANOF I-AVENTIS (FR) 2006-11-14 US claimed
JP-2006519815-A 2006-08-31 JP claimed
US-20060058526-A1 Process for the preparation of pyridinyl and pyrimidinyl mono-fluorinated beta keto-esters SANOFI-AVENTIS (FR) 2006-03-16 US claimed
EP-1603876-A1 PROCESS FOR THE PREPARATION OF PYRIDINYL AND PYRIMIDINYL MONO-FLUORINATED BETA KETO ESTERS Sanofi-Aventis (FR) 2005-12-14 EP claimed
WO-2004078725-A1 PROCESS FOR THE PREPARATION OF PYRIDINYL AND PYRIMIDINYL MONO-FLUORINATED BETA KETO ESTERS SANOFI-AVENTIS (FR) 2004-09-16 WO claimed
EP-1454900-A1 Process for the preparation of pyridinyl and pyrimidinyl mono-fluorinated beta keto-esters SANOFI-SYNTHELABO (FR) 2004-09-08 EP claimed
EP-1603876-B1 PROCESS FOR THE PREPARATION OF PYRIDINYL AND PYRIMIDINYL MONO-FLUORINATED BETA KETO ESTERS SANOFI AVENTIS (FR) 2007-02-14 EP disclosed
US-7135569-B2 Process for the preparation of pyridinyl and pyrimidinyl mono-fluorinated beta keto-esters SANOF I-AVENTIS (FR) 2006-11-14 US disclosed
US-20060058526-A1 Process for the preparation of pyridinyl and pyrimidinyl mono-fluorinated beta keto-esters SANOFI-AVENTIS (FR) 2006-03-16 US disclosed
EP-1603876-A1 PROCESS FOR THE PREPARATION OF PYRIDINYL AND PYRIMIDINYL MONO-FLUORINATED BETA KETO ESTERS Sanofi-Aventis (FR) 2005-12-14 EP disclosed
WO-2004078725-A1 PROCESS FOR THE PREPARATION OF PYRIDINYL AND PYRIMIDINYL MONO-FLUORINATED BETA KETO ESTERS SANOFI-AVENTIS (FR) 2004-09-16 WO disclosed
EP-1454900-A1 Process for the preparation of pyridinyl and pyrimidinyl mono-fluorinated beta keto-esters SANOFI-SYNTHELABO (FR) 2004-09-08 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 (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-20060058526-A1 Process for the preparation of pyridinyl and pyrimidinyl mono-fluorinated beta keto-esters KHK, AKR1C3, AKR1C4 P2RX7 2878/4885FAAH 699/4885CTNNB1 1342/4885

“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.