SCHEMBL171079

SCHEMBL171079

COC(=O)C(CC(F)(F)F)(CC(F)(F)F)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.38
PGK1 P00558 2/20 0.32
PGK2 P07205 2/20 0.32
PPIP5K2 O43314 1/20 0.32
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL2239052 0.81 CYP4F2 (0.36) ALDH1A1
SCHEMBL2721087 0.79 PTPN1 (0.44) PTPN1
SCHEMBL2234955 0.78 LPAR1 (0.33) ALDH1A1
SCHEMBL337595 0.77 MMP1 (0.34) PTPN1PPIP5K2ALDH1A1
SCHEMBL2238373 0.75 ALDH1A1 (0.40) ALDH1A1
SCHEMBL2154821 0.74 PGK1 (0.33) PTPN1PGK1PGK2
SCHEMBL2238607 0.73 FDPS (0.45) PTPN1
SCHEMBL2236082 0.73 PTPN1 (0.33) PTPN1PGK1PGK2CNR2
SCHEMBL1751362 0.73 PTPN1 (0.33) PTPN1CNR2
SCHEMBL2239046 0.73 HTT (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090297967-A1 PHOSPHONATE HOLE BLOCKING LAYER PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-12-03 US claimed
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives GLAXO GROUP LIMITED (GB) 2008-04-24 US claimed
EP-1865959-A2 PROCESS FOR PREPARING PYRIDOÝ2,3-D¨PYRIMIDIN-7-ONE AND 3,4-DIHYDROPYRIMIDOÝ4,5-D¨PYRIMIDIN-2(1H)-ONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-12-19 EP claimed
US-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LIMITED (GB) 2006-11-16 US claimed
WO-2006104917-A2 PROCESS FOR PREPARING PYRIDO[2,3-D]PYRIMIDIN-7-ONE AND 3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-2(1H)-ONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-10-05 WO claimed
US-12159967-B2 Nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-12-03 US disclosed
US-12009482-B2 Nonaqueous electrolytic solution and electrical storage device including the same MITSUBISHI CHEMICAL CORPORATION (JP) 2024-06-11 US disclosed
EP-3943479-B1 PROCESSES FOR PREPARING 5,5-DIMETHYL-2-OXO-3-CYCLOPENTENE-1-CARBOXYLATE COMPOUNDS AND 3,5,5-TRIMETHYL-2-OXO-3-CYCLOPENTENE-1-CARBOXYLATE COMPOUNDS FROM 3,3-DIMETHYL-1-BUTENE-1,4-DICARBOXYLATE COMPOUNDS AND 1,3,3-TRIMETHYL-1-BUTENE-1,4-DICARBOXYLATE COMPOUNDS, AND 1,3,3-TRIMETHYL-1-BUTENE-1,4-DICARBOXYLATE COMPOUNDS SHINETSU CHEMICAL CO (JP) 2024-05-01 EP disclosed
US-20240128511-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2024-04-18 US disclosed
US-11942601-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2024-03-26 US disclosed
EP-4318719-A2 NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2024-02-07 EP disclosed
EP-4030524-B1 NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2024-02-07 EP disclosed
US-4959360-A α-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-09-25 US disclosed
WO-1990002740-A1 2-OXA-BICYCLO[2.2.1]HEPTANE DERIVATIVES AND DRUGS CONTAINING SAID COMPOUNDS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1990-03-22 WO disclosed
EP-0358290-A1 2-Oxa-bicyclo[2.2.1]heptane derivatives and medicines containing these compounds SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-14 EP disclosed
WO-1989012054-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
WO-1989012050-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
EP-0344980-A2 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed
EP-0344979-A2 Alfa-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP 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 (2 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-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives CBR3, CBR1, CYP2S1 PTPN1 2282/4885PGK1 2389/4885PGK2 1156/4885
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives CYP2S1, CYP2F1, CBR3 PTPN1 2339/4885PGK1 2053/4885PGK2 1383/4885

“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.