SCHEMBL3199864

SCHEMBL3199864

OCCC(O)c1c(F)c(F)cc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1A P35348 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
APEX1 P27695 1/20 0.31
RAD52 P43351 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL22206827 0.81 THRB (0.33)
SCHEMBL3185437 0.81 CES2 (0.31) CES2CES1
SCHEMBL7152606 0.76 ADRA2C (0.50) ADRB2CYP3A4HSD17B10ADRA2AADRA2B
SCHEMBL30446174 0.75 ADRA2A (0.33) ADRB2CYP3A4HSD17B10ADRA2AADRA2B
SCHEMBL22206905 0.75 ADRA2A (0.33) ADRB2CYP3A4HSD17B10ADRA2AADRA2B
SCHEMBL22206862 0.74 ADRA2A (0.44) ADRB2CYP3A4HSD17B10ADRA2AADRA2B
SCHEMBL30446707 0.74 ADRA2A (0.44) ADRB2CYP3A4HSD17B10ADRA2AADRA2B
SCHEMBL28410212 0.74 CES2 (0.42) ADRA2AADRA2BADRA2CCES2CES1
SCHEMBL28415620 0.74 CES2 (0.46) ADRB2CYP3A4HSD17B10ADRA2AADRA2B
SCHEMBL10656052 0.72 ADRA2A (0.31) ADRB2CYP3A4HSD17B10ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2007022073-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES MERCK & CO., INC. (US) 2007-02-22 WO 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 ADRB2 3295/4885CYP3A4 177/4885HSD17B10 1197/4885
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 ADRB2 1777/4885CYP3A4 215/4885HSD17B10 2207/4885
US-20070042989-A1 Novel 2'-C-methyl nucleoside derivatives NSUN2, NT5C3B, MTAP ADRB2 3136/4885CYP3A4 143/4885HSD17B10 1708/4885
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MTAP, NT5C3B, NSUN2 ADRB2 3273/4885CYP3A4 212/4885HSD17B10 2233/4885
US-20040192651-A1 Novel cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs PNP, CYP2S1, CYP2F1 ADRB2 1096/4885CYP3A4 55/4885HSD17B10 597/4885
US-20070021388-A1 Novel cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs PNP, CYP2S1, TYMP ADRB2 1087/4885CYP3A4 53/4885HSD17B10 680/4885
US-20070179114-A1 Novel 2'-C methyl nucleoside derivatives NSUN2, NT5C3B, MTAP ADRB2 3167/4885CYP3A4 173/4885HSD17B10 1575/4885

“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.