SCHEMBL297071

SCHEMBL297071

CN(Cc1ccc(N)c(C(=O)O)c1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
CDC25B P30305 1/20 0.51
CASP6 P55212 1/20 0.51
RCE1 Q9Y256 1/20 0.51
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 2/20 0.41
GFER P55789 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GLS O94925 2/20 0.40
MCL1 Q07820 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL1323637 0.87 ALDH1A1 (0.58) ALDH1A1CDC25BCASP6RCE1HTR2C
SCHEMBL30952689 0.85 HTR2C (0.42) HTR2CSLC6A4KMT2AGLSAOC3
SCHEMBL7936706 0.85 HTR2C (0.42) HTR2CSLC6A4KMT2AGLSAOC3
SCHEMBL3109559 0.84 HTR2C (0.41) HTR2CSLC6A4KMT2AGLSMEN1
SCHEMBL14969145 0.84 HTR2C (0.43) ALDH1A1HTR2CSLC6A4KMT2AGLS
SCHEMBL3108959 0.83 NR1H4 (0.45) HTR2CSLC6A4KMT2AGLSAOC3
SCHEMBL3110201 0.82 GLS (0.43) ALDH1A1HTR2CSLC6A4KDM4EKMT2A
SCHEMBL3116212 0.82 LTA4H (0.42) HTR2CSLC6A4HPGDTSHRHSD17B10
SCHEMBL2031865 0.82 ALDH1A1 (0.49) ALDH1A1HTR2CSLC6A4TSHRHSD17B10
SCHEMBL3109868 0.82 GLS (0.42) HTR2CSLC6A4GLSAOC3CTSL

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
CN-101589028-B Process for production of phenylalanine derivatives having quinazolinedione skeletons and intermediates for the production AJINOMOTO KK 2014-02-19 CN disclosed
US-8546610-B2 Method for preparing phenylalanine derivatives having quinazoline-dione skeleton and intermediates for use in the preparation of the derivatives AJINOMOTO CO., INC. (JP) 2013-10-01 US disclosed
US-8546610-B2 Method for preparing phenylalanine derivatives having quinazoline-dione skeleton and intermediates for use in the preparation of the derivatives AJINOMOTO CO., INC. (JP) 2013-10-01 US disclosed
US-8546610-B2 Method for preparing phenylalanine derivatives having quinazoline-dione skeleton and intermediates for use in the preparation of the derivatives AJINOMOTO CO., INC. (JP) 2013-10-01 US disclosed
EP-2103601-B1 PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION AJINOMOTO KK (JP) 2012-03-14 EP disclosed
US-20110313154-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF THE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-12-22 US disclosed
US-20110313154-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF THE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-12-22 US disclosed
US-20110313154-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF THE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-12-22 US disclosed
US-8058432-B2 Method for preparing phenylalanine derivatives having quinazoline-dione skeleton and intermediates for use in the preparation of derivatives AJINOMOTO CO., INC. (JP) 2011-11-15 US disclosed
US-8058432-B2 Method for preparing phenylalanine derivatives having quinazoline-dione skeleton and intermediates for use in the preparation of derivatives AJINOMOTO CO., INC. (JP) 2011-11-15 US disclosed
US-8058432-B2 Method for preparing phenylalanine derivatives having quinazoline-dione skeleton and intermediates for use in the preparation of derivatives AJINOMOTO CO., INC. (JP) 2011-11-15 US disclosed
US-20090318688-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES AJINOMOTO CO., INC. (JP) 2009-12-24 US disclosed
US-20090318688-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES AJINOMOTO CO., INC. (JP) 2009-12-24 US disclosed
US-20090318688-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES AJINOMOTO CO., INC. (JP) 2009-12-24 US disclosed
CN-101589028-A Process for production of phenylalanine derivatives having quinazolinedione skeletons and intermediates for the production AJINOMOTO KK (JP) 2009-11-25 CN disclosed
EP-2103601-A1 PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION Ajinomoto Co., Inc. (JP) 2009-09-23 EP disclosed
EP-2103601-A1 PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION Ajinomoto Co., Inc. (JP) 2009-09-23 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-20090318688-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES PAH, DDC, AADAT ALDH1A1 985/4885CDC25B 1788/4885CASP6 4497/4885
US-20110313154-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF THE DERIVATIVES PAH, DDC, ASNS ALDH1A1 1454/4885CDC25B 2052/4885CASP6 4468/4885

“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.