SCHEMBL3199954

SCHEMBL3199954

OCCC(O)c1cc(F)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.49
PSEN2 P49810 5/20 0.49
APH1B Q8WW43 5/20 0.49
NCSTN Q92542 5/20 0.49
APH1A Q96BI3 5/20 0.49
PSENEN Q9NZ42 5/20 0.49
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
ADRA2C P18825 3/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ADRA1A P35348 2/20 0.36
ADRA1B P35368 1/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL30446775 1.00 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31074203 1.00 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31074208 0.85 CES2 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20943341 0.85 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20943342 0.85 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3185608 0.85 CES2 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22618975 0.85 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30446762 0.85 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021547 0.84 CES2 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31074204 0.83 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111434671-B Liver-specific AMPK agonist and preparation method and application thereof 凯思凯迪(上海)医药科技有限公司 2023-07-11 CN disclosed
CN-111434671-A Liver specificity AMPK agonist and preparation method and application thereof 凯思凯迪(上海)医药科技有限公司 2020-07-21 CN disclosed
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
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 PSEN1 2500/4885PSEN2 2592/4885APH1B 3126/4885
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 PSEN1 3922/4885PSEN2 4464/4885APH1B 3119/4885
US-20070042989-A1 Novel 2'-C-methyl nucleoside derivatives NSUN2, NT5C3B, MTAP PSEN1 3762/4885PSEN2 3796/4885APH1B 2665/4885
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MTAP, NT5C3B, NSUN2 PSEN1 4395/4885PSEN2 4195/4885APH1B 3514/4885
US-20070179114-A1 Novel 2'-C methyl nucleoside derivatives NSUN2, NT5C3B, MTAP PSEN1 3891/4885PSEN2 3812/4885APH1B 2815/4885

“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.