SCHEMBL428737

SCHEMBL428737

CC(=O)C(C)(C)O[PH](=O)O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 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
SCHEMBL4745168 0.81 GAA (0.32) GAA
SCHEMBL28061551 0.77
SCHEMBL1549646 0.75 DGAT1 (0.38)
SCHEMBL331834 0.71
SCHEMBL11163157 0.71 KEAP1 (0.33)
SCHEMBL4104284 0.70
SCHEMBL29119800 0.69
SCHEMBL1687808 0.69
Water SCHEMBL30726534 0.69
SCHEMBL16761002 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101563084-B 4-(1-amino-ethyl)-cyclohexylamine derivatives ACTELION PHARMACEUTICALS LTD 2013-02-20 CN disclosed
EP-2442644-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE Bikam Pharmaceuticals, Inc. (US) 2012-04-25 EP disclosed
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2012-01-26 US disclosed
EP-2378879-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2011-10-26 EP disclosed
EP-2035381-B1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS BASF SE (DE) 2010-12-29 EP disclosed
CN-101563084-A 4-(1-amino-ethyl)-cyclohexylamine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-10-21 CN disclosed
EP-2035381-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS Ciba Holding Inc. (CH) 2009-03-18 EP disclosed
WO-2008109104-A1 BIVALENT INHIBITORS OF AKT PROTEIN KINASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-12 WO disclosed
WO-2008003602-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS CIBA HOLDING INC. (CH) 2008-01-10 WO disclosed
US-7271183-B2 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC (US) 2007-09-18 US disclosed
US-6416905-B1 1 TO 95% BY WEIGHT OF A SOLID, HAVING A PRIMARY PARTICLE SIZE OF 5 NM TO 20 MICRONS, AND A POLYMER; ELECTROLYTIC CELL BASF AKTIENGESELLSCHAFT (DE) 2002-07-09 US disclosed
EP-0996606-B1 CATALYSED FLUORINATION OF CARBONYL COMPOUNDS F2 CHEMICALS LTD (GB) 2002-01-16 EP disclosed
US-6300511-B1 FLUORINATING CARBONYL COMPOUND BY REPLACEMENT OF ALPHA-HYDROGEN ATOM WITH FLUORINE COMPRISING REACTING COMPOUND WITH FLUORINATING AGENT IN PRESENCE OF CATALYTICALLY EFFECTIVE AMOUNT OF TRANSITION METAL-CONTAINING CATALYST F2 CHEMICALS LIMITED (GB) 2001-10-09 US disclosed
US-6255518-B1 Preparation of fluorinated compounds F2 CHEMICALS, LIMITED (GB) 2001-07-03 US disclosed
EP-1001918-A1 PREPARATION OF FLUORINATED COMPOUNDS F2 Chemicals Limited (GB) 2000-05-24 EP disclosed
EP-0996606-A1 CATALYSED FLUORINATION OF CARBONYL COMPOUNDS F2 Chemicals Ltd. (GB) 2000-05-03 EP disclosed
WO-1999005080-A1 PREPARATION OF FLUORINATED COMPOUNDS F2 CHEMICALS LIMITED (GB) 1999-02-04 WO disclosed
WO-1999003802-A1 CATALYSED FLUORINATION OF CARBONYL COMPOUNDS F2 CHEMICALS LIMITED (GB) 1999-01-28 WO disclosed
EP-0696272-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING N(3-BIPHENYLYL-1(S)-METHYL-2-PROPENYL) ACETOHYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025431-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING N(3-BIPHENYLYL-1(S)-METHYL-2-PROPENYL) ACETOHYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-10 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 (1 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-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MAPT, BACE1, APP GAA 722/4885

“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.