SCHEMBL3185437

SCHEMBL3185437

OCCC(O)c1c(F)ccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL14692533 0.85 PSEN1 (0.30) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3199864 0.81 ADRB2 (0.31) CES2CES1
SCHEMBL28410212 0.81 CES2 (0.42) CES2CES1
SCHEMBL7170117 0.77 ADRA2C (0.46)
SCHEMBL22206827 0.75 THRB (0.33)
SCHEMBL31074205 0.72 CES2 (0.46) CES2CES1
SCHEMBL20646071 0.72 CYP2C19 (0.31)
SCHEMBL20879202 0.69 CYP11B1 (0.31)
SCHEMBL22766426 0.69 ALDH1A1 (0.46)
SCHEMBL31074206 0.69 CES2 (0.44) CES2CES1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110914271-A Bicyclic ketone compounds and methods of use thereof 豪夫迈·罗氏有限公司 2020-03-24 CN disclosed
EP-1556393-B1 NOVEL CYCLIC PHOSPHATE DIESTERS OF 1,3-PROPANE-1-ARYL DIOLS AND THEIR USE IN PREPARING PRODRUGS METABASIS THERAPEUTICS INC (US) 2013-12-25 EP disclosed
US-7666855-B2 2′-C-methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2010-02-23 US disclosed
US-20090131370-A1 Novel Nucleoside Derivatives METABASIS THERAPEUTICS , INC. (US) 2009-05-21 US disclosed
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MERCK SHARP & DOHME CORP. 2009-05-07 US disclosed
US-7498320-B2 Cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs METABASIS THERAPEUTICS, INC. (US) 2009-03-03 US disclosed
EP-1915053-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES Merck & Co., Inc. (US) 2008-04-30 EP disclosed
EP-1905778-A2 Novel 2'-C-methyl nucleoside derivatives Metabasis Therapeutics, Inc. (US) 2008-04-02 EP disclosed
US-20070179114-A1 Novel 2'-C methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2007-08-02 US disclosed
EP-1781101-A2 NOVEL NUCLEOSIDE DERIVATIVES Metabasis Therapeutics, Inc. (US) 2007-05-09 EP disclosed
US-20070042989-A1 Novel 2'-C-methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2007-02-22 US disclosed
US-20070021388-A1 Novel cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-01-25 US disclosed
US-7148349-B2 Cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs METABASIS THERAPEUTICS, INC. (US) 2006-12-12 US disclosed
EP-1720556-A2 NOVEL 2'-C-METHYL NUCLEOSIDE DERIVATIVES Merck & Co., Inc. (US) 2006-11-15 EP disclosed
WO-2006033709-A2 NOVEL NUCLEOSIDE DERIVATIVES METABASIS THERAPEUTICS, INC. (US) 2006-03-30 WO disclosed
WO-2005084192-A2 NOVEL 2’-C-METHYL NUCLEOSIDE DERIVATIVES MERCK & CO., INC. (US) 2005-09-15 WO disclosed
US-20050182252-A1 Hepatitis C viral infection; 2'-C-beta-methyl-7-deazaadenosine; trans-4-(aryl)-2-(4-nitrophenoxy)-2-oxo-1,3,2-dioxaphosphorinanes METABASIS THERAPEUTICS, INC. 2005-08-18 US disclosed
EP-1556393-A2 NOVEL CYCLIC PHOSPHATE DIESTERS OF 1,3-PROPANE-1-ARYL DIOLS AND THEIR USE IN PREPARING PRODRUGS Metabasis Therapeutics, Inc. (US) 2005-07-27 EP disclosed
US-20040192651-A1 Novel cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2004-09-30 US disclosed
WO-2004041834-A2 NOVEL CYCLIC PHOSPHATE DIESTERS OF 1,3-PROPANE-1-ARYL DIOLS AND THEIR USE IN PREPARING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2004-05-21 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 (7 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-20090131370-A1 Novel Nucleoside Derivatives SLC29A1, SLC29A2, PNP CES2 738/4885CES1 196/4885PSEN1 2500/4885
US-20050182252-A1 Hepatitis C viral infection; 2'-C-beta-methyl-7-deazaadenosine; trans-4-(aryl)-2-(4-nitrophenoxy)-2-oxo-1,3,2-dioxaphosphorinanes MTAP, NT5C3B, ADAR CES2 522/4885CES1 103/4885PSEN1 3922/4885
US-20070042989-A1 Novel 2'-C-methyl nucleoside derivatives NSUN2, NT5C3B, MTAP CES2 228/4885CES1 87/4885PSEN1 3762/4885
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MTAP, NT5C3B, NSUN2 CES2 299/4885CES1 191/4885PSEN1 4395/4885
US-20040192651-A1 Novel cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs PNP, CYP2S1, CYP2F1 CES2 325/4885CES1 226/4885PSEN1 3220/4885
US-20070021388-A1 Novel cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs PNP, CYP2S1, TYMP CES2 334/4885CES1 237/4885PSEN1 3117/4885
US-20070179114-A1 Novel 2'-C methyl nucleoside derivatives NSUN2, NT5C3B, MTAP CES2 262/4885CES1 104/4885PSEN1 3891/4885

“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.