SCHEMBL12123746

SCHEMBL12123746

COC(=O)c1cc(N(C)C)ccc1NC(=O)Nc1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.49
ITGA4 P13612 20/20 0.49
ITGB7 P26010 2/20 0.47
ITGA2 P17301 1/20 0.47

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
SCHEMBL17117089 0.88 ITGB1 (0.50) ITGB1ITGA4ITGB7ITGA2
SCHEMBL1323600 0.86 ITGB1 (0.50) ITGB1ITGA4ITGB7ITGA2
SCHEMBL4315764 0.84 ITGB1 (0.52) ITGB1ITGA4ITGB7ITGA2
SCHEMBL12123738 0.81 ITGB1 (0.46) ITGB1ITGA4ITGB7ITGA2
SCHEMBL1322684 0.81 ITGB1 (0.50) ITGB1ITGA4ITGB7ITGA2
SCHEMBL15147586 0.78 ITGB1 (0.64) ITGB1ITGA4ITGB7ITGA2
SCHEMBL15147585 0.78 ITGB1 (0.64) ITGB1ITGA4ITGB7ITGA2
SCHEMBL1323590 0.77 ALDH1A1 (0.40)
SCHEMBL5261225 0.76 ITGB1 (0.55) ITGB1ITGA4ITGB7ITGA2
SCHEMBL13232415 0.76 ITGA4 (0.45) ITGB1ITGA4ITGB7ITGA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8318975-B2 Methods for producing phenylalanine derivatives having a quinazolinedione skeleton and intermediates for production thereof AJINOMOTO CO., INC. (JP) 2012-11-27 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-20100204505-A1 METHODS FOR PRODUCING PHENYLALANINE DERIVATIVES HAVING A QUINAZOLINEDIONE SKELETON AND INTERMEDIATES FOR PRODUCTION THEREOF AJINOMOTO CO. INC (JP) 2010-08-12 US disclosed
US-7737274-B2 Methods for producing phenylalanine derivatives having a quinazolinedione skeleton and intermediates for production thereof AJINOMOTO CO., INC. (JP) 2010-06-15 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20100204505-A1 METHODS FOR PRODUCING PHENYLALANINE DERIVATIVES HAVING A QUINAZOLINEDIONE SKELETON AND INTERMEDIATES FOR PRODUCTION THEREOF ITGA4, ITGB4, ITGA5 ITGB1 10/4885ITGA4 1/4885ITGB7 5/4885
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 4848/4885ITGB7 4382/4885
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 4857/4885ITGB7 4451/4885

“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.