Sugi Predict

Sugi Predict / Compounds / SCHEMBL3198162

SCHEMBL3198162

SCHEMBL3198162

OCCC(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.68
▸ GRIN2B Q13224 6/20 0.50
▸ CES2 O00748 1/20 0.50
▸ ACP3 P15309 2/20 0.46
▸ IDO1 P14902 1/20 0.44
▸ TDO2 P48775 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR2B P41595 1/20 0.44

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
SCHEMBL29256522 0.86 PNMT (0.72) PNMTGRIN2BCES2ACP3IDO1
SCHEMBL6540783 0.86 PNMT (0.72) PNMTGRIN2BCES2ACP3IDO1
SCHEMBL16412856 0.86 PNMT (0.72) PNMTGRIN2BCES2ACP3IDO1
SCHEMBL14402720 0.85 PNMT (0.66) PNMTGRIN2BCES2ACP3
SCHEMBL12064796 0.85 PNMT (0.66) PNMTGRIN2BCES2ACP3
SCHEMBL25349429 0.85 PNMT (0.66) PNMTGRIN2BCES2ACP3IDO1
SCHEMBL13850046 0.85 PNMT (0.66) PNMTGRIN2BCES2ACP3
SCHEMBL25349427 0.85 PNMT (0.66) PNMTGRIN2BCES2ACP3IDO1
SCHEMBL14402570 0.83 PNMT (0.64) PNMTGRIN2BCES2ACP3
SCHEMBL20342674 0.83 PNMT (0.64) PNMTGRIN2BCES2ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098893-A1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GmbH (DE) 2001-05-16 — — EP claimed
WO-2000004011-A1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2000-01-27 — — WO claimed
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
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
EP-1098893-A1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GmbH (DE) 2001-05-16 — — EP disclosed
WO-2000004011-A1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2000-01-27 — — 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 (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 PNMT 3573/4885GRIN2B 4062/4885CES2 738/4885
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 PNMT 967/4885GRIN2B 4755/4885CES2 522/4885
US-20070042989-A1 Novel 2'-C-methyl nucleoside derivatives NSUN2, NT5C3B, MTAP PNMT 466/4885GRIN2B 2800/4885CES2 228/4885
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MTAP, NT5C3B, NSUN2 PNMT 172/4885GRIN2B 3173/4885CES2 299/4885
US-20070179114-A1 Novel 2'-C methyl nucleoside derivatives NSUN2, NT5C3B, MTAP PNMT 545/4885GRIN2B 2674/4885CES2 262/4885

“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.