SCHEMBL2171977

SCHEMBL2171977

CC(CP(=O)(O)C(C)C)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.40
LAP3 P28838 1/20 0.40
GABRR1 P24046 2/20 0.39
CYP1A2 P05177 1/20 0.39
FOLH1 Q04609 3/20 0.35
NAALAD2 Q9Y3Q0 2/20 0.34
ENPEP Q07075 1/20 0.34

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
SCHEMBL338962 0.84 ANPEP (0.39) ANPEPLAP3GABRR1CYP1A2FOLH1
SCHEMBL9696243 0.82 ANPEP (0.46) ANPEPLAP3GABRR1ENPEP
SCHEMBL2171773 0.80 ANPEP (0.37) ANPEPLAP3GABRR1CYP1A2
SCHEMBL2402598 0.80 GRM3 (0.45) ANPEPLAP3GABRR1CYP1A2FOLH1
SCHEMBL1304832 0.80 FOLH1 (0.48) GABRR1CYP1A2FOLH1NAALAD2
SCHEMBL2402574 0.78 GABRR1 (0.43) ANPEPLAP3GABRR1CYP1A2FOLH1
SCHEMBL4326971 0.76 LAP3 (0.49) ANPEPLAP3GABRR1CYP1A2FOLH1
SCHEMBL2990298 0.75 GABRR1 (0.42) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL339921 0.74 GRM3 (0.41) ANPEPLAP3GABRR1CYP1A2FOLH1
SCHEMBL338990 0.74 GABRR1 (0.38) ANPEPLAP3GABRR1CYP1A2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139714-B2 Method for producing dialkylphosphinic acids and esters and salts thereof by means of allyl alcohols-acroleins and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-09-22 US disclosed
EP-2352740-B1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLIC ACID DERIVATIVES AND USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2014-09-24 EP disclosed
US-8735477-B2 Method for producing dialkylphosphinic acids and esters and salts thereof by means of acrylnitriles and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2014-05-27 US disclosed
US-8664418-B2 Method for producing dialkylphosphinic acids and esters and salts thereof by means of acrylic acid derivatives and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2014-03-04 US disclosed
EP-2346885-B1 METHOD FOR PRODUCING MONO-CARBOXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS/ACROLEINS AND USE THEREOF CLARIANT INT LTD (CH) 2013-08-28 EP disclosed
EP-2367833-B1 METHOD FOR PRODUCING MONO-CARBOXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2013-08-28 EP disclosed
US-20110237720-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Vinyl Compounds and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-29 US disclosed
EP-2367833-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF Clariant Finance (BVI) Limited (VG) 2011-09-28 EP disclosed
US-20110213059-A1 Method for Producing Mono-Carboxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof by means of Vinylenes-Nitriles and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
US-20110213060-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
US-20110213052-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylic Acid Derivatives and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
US-20110201732-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Allyl Alcohols-Acroleins and use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-08-18 US disclosed
EP-2352740-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLIC ACID DERIVATIVES AND USE THEREOF Clariant Finance (BVI) Limited (VG) 2011-08-10 EP disclosed
EP-2346885-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS/ACROLEINS AND USE THEREOF Clariant International Ltd. (CH) 2011-07-27 EP disclosed
WO-2010051893-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLIC ACID DERIVATIVES AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
WO-2010051883-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS/ACROLEINS AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
WO-2010051891-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 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-20110213059-A1 Method for Producing Mono-Carboxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof by means of Vinylenes-Nitriles and Use Thereof ACSL3, ACSL1, ACSL6 ANPEP 2083/4885LAP3 1027/4885GABRR1 2805/4885
US-20110213060-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof AOC2, AOC3, SCO2 ANPEP 3380/4885LAP3 2301/4885GABRR1 3289/4885
US-20110237720-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Vinyl Compounds and Use Thereof ACSL3, ACSL6, ACSL1 ANPEP 3402/4885LAP3 1934/4885GABRR1 3333/4885
US-20110213052-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylic Acid Derivatives and Use Thereof ACSL3, HAO2, AOC3 ANPEP 3065/4885LAP3 1648/4885GABRR1 2174/4885
US-20110201732-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Allyl Alcohols-Acroleins and use Thereof AOC3, SCO2, AOC2 ANPEP 3667/4885LAP3 2221/4885GABRR1 3249/4885

“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.