SCHEMBL584895

SCHEMBL584895

CC1(C)OC(=O)C(F)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
GLA P06280 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.33
PTPN1 P18031 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
SCHEMBL14993702 0.75 BACE1 (0.31) BACE1
SCHEMBL146063 0.74 GLA (0.37) BACE1GLANPSR1TSHRPTPN1
SCHEMBL14993814 0.74
SCHEMBL27575442 0.72 BACE1 (0.38) BACE1GLANPSR1TSHRPTPN1
SCHEMBL588865 0.72 GLA (0.36) BACE1GLANPSR1TSHRPTPN1
SCHEMBL8409372 0.72 GLA (0.36) BACE1GLANPSR1TSHRPTPN1
SCHEMBL14306611 0.72 GLA (0.36) BACE1GLANPSR1TSHRPTPN1
SCHEMBL8163132 0.70 GLA (0.47) BACE1GLANPSR1TSHRPTPN1
SCHEMBL13502650 0.69 GLA (0.34) BACE1GLANPSR1TSHRPTPN1
SCHEMBL6059323 0.69 GLA (0.50) BACE1GLANPSR1TSHRPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9825331-B2 Fluorinated derivatives of meldrum's acid, a method for the preparation of the same, and their use as a solvent additive SOLVAY SA (BE) 2017-11-21 US disclosed
US-9825331-B2 Fluorinated derivatives of meldrum's acid, a method for the preparation of the same, and their use as a solvent additive SOLVAY SA (BE) 2017-11-21 US disclosed
US-9825331-B2 Fluorinated derivatives of meldrum's acid, a method for the preparation of the same, and their use as a solvent additive SOLVAY SA (BE) 2017-11-21 US disclosed
EP-2785703-B1 5-Fluorinated derivatives of Meldrum's acid (5-fluoro-1,3-dioxane-4,6-dione derivatives), methods for their preparation and their use as solvent additives in lithium ion batteries. SOLVAY (BE) 2017-01-11 EP disclosed
WO-2016075085-A1 FLUOROMALONYL HALFTHIOESTERS ETH ZURICH (CH) 2016-05-19 WO disclosed
WO-2016075085-A1 FLUOROMALONYL HALFTHIOESTERS ETH ZURICH (CH) 2016-05-19 WO disclosed
EP-3020703-A1 Fluoromalonyl Halfthioesters ETH Zurich (CH) 2016-05-18 EP disclosed
EP-3020703-A1 Fluoromalonyl Halfthioesters ETH Zurich (CH) 2016-05-18 EP disclosed
US-20140322618-A1 FLUORINATED DERIVATIVES OF MELDRUM'S ACID, A METHOD FOR THE PREPARATION OF THE SAME, AND THEIR USE AS A SOLVENT ADDITIVE SOLVAY SA (BE) 2014-10-30 US disclosed
US-20140322618-A1 FLUORINATED DERIVATIVES OF MELDRUM'S ACID, A METHOD FOR THE PREPARATION OF THE SAME, AND THEIR USE AS A SOLVENT ADDITIVE SOLVAY SA (BE) 2014-10-30 US disclosed
US-20140322618-A1 FLUORINATED DERIVATIVES OF MELDRUM'S ACID, A METHOD FOR THE PREPARATION OF THE SAME, AND THEIR USE AS A SOLVENT ADDITIVE SOLVAY SA (BE) 2014-10-30 US disclosed
EP-2785703-A1 FLUORINATED DERIVATIVES OF MELDRUM'S ACID, A METHOD FOR THE PREPARATION OF THE SAME, AND THEIR USE AS A SOLVENT ADDITIVE Solvay SA (BE) 2014-10-08 EP disclosed
WO-2013079397-A1 FLUORINATED DERIVATIVES OF MELDRUM'S ACID, A METHOD FOR THE PREPARATION OF THE SAME, AND THEIR USE AS A SOLVENT ADDITIVE SOLVAY SA (BE) 2013-06-06 WO disclosed
EP-2417119-A2 NO-CARRIER-ADDED NUCLEOPHILIC ÝF-18¨FLUORINATION OF AROMATIC COMPOUNDS The Regents of The University of California (US) 2012-02-15 EP disclosed
WO-2010117435-A2 NO-CARRIER-ADDED NUCLEOPHILIC [F-18] FLUORINATION OF AROMATIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-14 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-20140322618-A1 FLUORINATED DERIVATIVES OF MELDRUM'S ACID, A METHOD FOR THE PREPARATION OF THE SAME, AND THEIR USE AS A SOLVENT ADDITIVE FXR2, FXR1, SLC10A1 BACE1 4306/4885GLA 4020/4885NPSR1 1897/4885

“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.