SCHEMBL296290

SCHEMBL296290

CC(C)OC(=O)[C@@](C)(NC(=O)c1c(Cl)cccc1Cl)c1ccc(NC(=O)Nc2ccc(CN(C)C=O)cc2C(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.36
ITGA4 P13612 19/20 0.36
ITGA2 P17301 1/20 0.34
ITGB7 P26010 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL12123722 0.83 ITGB1 (0.48) ITGB1ITGA4ITGA2ITGB7
SCHEMBL12123738 0.77 ITGB1 (0.46) ITGB1ITGA4ITGA2ITGB7
SCHEMBL4314096 0.74 RAB9A (0.41) MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL12123724 0.73 ITGB1 (0.46) ITGB1ITGA4ITGA2ITGB7
SCHEMBL12123729 0.71 ITGB1 (0.46) ITGB1ITGA4ITGA2ITGB7
SCHEMBL4410923 0.70 ITGB1 (0.48) ITGB1ITGA4ITGA2ITGB7
SCHEMBL1323590 0.68 ALDH1A1 (0.40) MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL4321203 0.67 ITGB1 (0.60) ITGB1ITGA4ITGA2ITGB7
SCHEMBL4325082 0.65 MAPT (0.50) MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL4409640 0.61 ITGB1 (0.34) ITGB1ITGA4ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2103601-B1 PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION AJINOMOTO KK (JP) 2012-03-14 EP claimed
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 claimed
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 claimed
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-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
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 ITGB1 4840/4885ITGA4 4848/4885ITGA2 4819/4885
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 ITGB1 4852/4885ITGA4 4857/4885ITGA2 4838/4885

“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.