SCHEMBL298056

SCHEMBL298056

CC(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.59
ITGB1 P05556 17/20 0.56
ITGA4 P13612 16/20 0.56
ITGA2 P17301 1/20 0.56
ITGB7 P26010 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
ITGA5 P08648 1/20 0.51
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49

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
SCHEMBL12123726 0.91 ITGB1 (0.55) PSMB5ITGB1ITGA4ITGA2ITGB7
SCHEMBL18067798 0.90 ITGB1 (0.56) PSMB5ITGB1ITGA4ITGA2ITGB7
SCHEMBL370312 0.89 ITGB1 (0.53) PSMB5ITGB1ITGA4ITGA2ITGB7
SCHEMBL28032876 0.89 ITGB1 (0.53) PSMB5ITGB1ITGA4ITGA2ITGB7
SCHEMBL297398 0.88 ATM (0.61) PSMB5ITGB1ITGA4ITGA2ITGB7
SCHEMBL299984 0.85 ITGB1 (0.50) PSMB5ITGB1ITGA4ITGA2ITGB7
SCHEMBL12123728 0.84 ITGB1 (0.50) PSMB5ITGB1ITGA4ITGA2ITGB7
SCHEMBL6636739 0.84 ITGB1 (0.77) ITGB1ITGA4ITGA2ITGB7
SCHEMBL5787378 0.84 ITGA4 (0.66) ITGB1ITGA4ITGB7
SCHEMBL27808603 0.83 CTSL (0.65) PSMB5

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 4 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 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
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 (1 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-20110313154-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF THE DERIVATIVES PAH, DDC, ASNS PSMB5 886/4885ITGB1 4852/4885ITGA4 4857/4885

“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.