SCHEMBL1140577

SCHEMBL1140577

CCCCCC(N)CC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
OPRM1 P35372 1/20 0.43
S1PR2 O95136 6/20 0.43
S1PR1 P21453 6/20 0.43
S1PR3 Q99500 5/20 0.43
S1PR4 O95977 4/20 0.43
CYP1A2 P05177 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LAP3 P28838 2/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
GRIK1 P39086 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
GRIK2 Q13002 1/20 0.40
GPR84 Q9NQS5 2/20 0.39
PLA2G1B P04054 1/20 0.39

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
SCHEMBL3223213 1.00 TP53 (0.44) TP53OPRM1S1PR2S1PR1S1PR3
SCHEMBL4935831 0.98 S1PR2 (0.46) TP53OPRM1S1PR2S1PR1S1PR3
SCHEMBL28682838 0.98 S1PR2 (0.46) TP53OPRM1S1PR2S1PR1S1PR3
SCHEMBL4931761 0.98 S1PR2 (0.46) TP53OPRM1S1PR2S1PR1S1PR3
SCHEMBL4934729 0.94 CYP1A2 (0.42) TP53S1PR2S1PR1S1PR3S1PR4
SCHEMBL5720929 0.87 NAAA (0.44) TP53S1PR2S1PR1S1PR3S1PR4
SCHEMBL5721004 0.87 NAAA (0.48) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL28410817 0.87 CYP1A2 (0.53) CYP1A2ALDH1A1MGAMGAASI
SCHEMBL10602600 0.86 MGAM (0.44) CYP1A2ALDH1A1MGAMGAASI
SCHEMBL1294363 0.86 MGAM (0.44) CYP1A2ALDH1A1MGAMGAASI

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
WO-2015189862-A1 CHIRAL AMINES, A PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-17 WO claimed
WO-2015189862-A1 CHIRAL AMINES, A PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-17 WO disclosed
US-8383547-B2 Aflatoxin production inhibitor and method for controlling aflatoxin contamination using the same MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2013-02-26 US disclosed
US-20120190746-A1 AFLATOXIN PRODUCTION INHIBITOR AND METHOD FOR CONTROLLING AFLATOXIN CONTAMINATION USING THE SAME THE UNIVERSITY OF TOKYO (JP) 2012-07-26 US disclosed
US-7915019-B2 Processes for preparing optically active (S or R)-β-amino acid and optically active (R or S)-β-amino acid ester, and β-amino acid 2-alkoxyethyl ester and optically active (S or R)-β amino acid 2-alkoxyethyl ester UBE INDUSTRIES, LTD. (JP) 2011-03-29 US disclosed
EP-1840218-B1 Process for production of optically active (S)- or (R)-beta-amino acids and optically active (R)- or (S)-beta -amino acid esters, and optically active (S)- or (R)-2-alkoxyethyl esters of beta-amino acids. UBE INDUSTRIES (JP) 2011-02-23 EP disclosed
US-20100063150-A1 Aflatoxin Production Inhibitor and Method for Controlling Aflatoxin Contamination Using the Same THE UNIVERSITY OF TOKYO (JP) 2010-03-11 US disclosed
US-20090117626-A1 Process for preparing carboxylic acid using surfactant-modified enzyme UBE INDUSTRIES, LTD. (JP) 2009-05-07 US disclosed
US-20080312080-A1 Novel dioctatin derivatives and production process thereof MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2008-12-18 US disclosed
US-20080038785-A1 Processes For Preparing Optically Active (S Or R-)-Beta-Amino Acid And Optically Active (R Or S)-Beta-Amino Acid Ester, And Beta-Amino Acid 2-Alkoxyethyl Ester And Optically Active (S Or R)-Beta Amino Acid 2-Alkoxyethyl Ester UBE INDUSTRIES, LTD. (JP) 2008-02-14 US disclosed
EP-1887086-A1 PROCESS FOR PRODUCTION OF CARBOXYLIC ACID USING SURFACTANT-MODIFYING ENZYME Ube Industries, Ltd. (JP) 2008-02-13 EP disclosed
EP-1840218-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE (S)- OR (R)- BETA-AMINO ACIDS AND OPTICALLY ACTIVE (R)- OR (S)-BETA -AMINO ACID ESTERS, 2-ALKOXYETHYL ESTERS OF -AMINO ACIDS, AND OPTICALLY ACITVE (S)- OR (R)-2-ALKOXYETHYL ESTERS OF -AMINO ACIDS Ube Industries, Ltd. (JP) 2007-10-03 EP disclosed
US-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto UBE INDUSTRIES, LTD. (JP) 2006-08-10 US disclosed
EP-1621529-A1 3-AMINO-3-ARYLPROPIONIC ACID n-ALKYL ESTERS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 3-AMINO-3-ARYLPROPIONIC ACIDS AND ESTERS OF THE ANTIPODES THERETO Ube Industries, Ltd. (JP) 2006-02-01 EP disclosed
EP-0918059-B1 Substituted imidazoline derivatives, their preparation, their use, and pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2003-06-25 EP disclosed
EP-0918059-A1 Substituted imidazoline derivatives, their preparation, their use, and pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-05-26 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 (4 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-20120190746-A1 AFLATOXIN PRODUCTION INHIBITOR AND METHOD FOR CONTROLLING AFLATOXIN CONTAMINATION USING THE SAME AKR7A2, CYP51A1, DIMT1 TP53 897/4885OPRM1 4875/4885S1PR2 4704/4885
US-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto ALAD, ARSA, ALDH7A1 TP53 4725/4885OPRM1 1954/4885S1PR2 2543/4885
US-20080312080-A1 Novel dioctatin derivatives and production process thereof AKR7A2, HDHD5, DECR1 TP53 2346/4885OPRM1 4872/4885S1PR2 4302/4885
US-20100063150-A1 Aflatoxin Production Inhibitor and Method for Controlling Aflatoxin Contamination Using the Same AKR7A2, DIMT1, CYP51A1 TP53 1435/4885OPRM1 4861/4885S1PR2 4535/4885

“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.