SCHEMBL1324063

SCHEMBL1324063

N[C@@H](Cc1ccc(I)cc1)C(=O)OC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.39
▸ SLC7A5 Q01650 3/20 0.36
▸ ALPI P09923 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ XIAP P98170 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ TXNRD1 Q16881 1/20 0.35
▸ ITGB1 P05556 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SLC15A1 P46059 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ ITGA5 P08648 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
SCHEMBL3019685 0.88 SLC7A5 (0.37) DPP4SLC7A5ALPIPKMPTGS1
SCHEMBL297856 0.83 RAB9A (0.42) DPP4MMP2TDP1L3MBTL1MEN1
SCHEMBL3823515 0.78 TYR (0.36) DPP4ITGB1MEN1RAB9AKMT2A
SCHEMBL28379172 0.77 DPP4 (0.48) DPP4SLC7A5ALPIPKMPTGS1
SCHEMBL15167136 0.77 DPP4 (0.48) DPP4SLC7A5ALPIPKMPTGS1
SCHEMBL18651708 0.74 DPP4 (0.48) DPP4SLC7A5ALPIPKMPTGS1
SCHEMBL4068426 0.73 ITGB1 (0.49) ITGB1ITGA5
SCHEMBL7421274 0.73 ITGA4 (0.61) ITGB1ITGA4
SCHEMBL256388 0.72 ALDH1A1 (0.50) DPP4SLC7A5MMP2
SCHEMBL2059162 0.72 ALDH1A1 (0.50) DPP4SLC7A5MMP2

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 5 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-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 DPP4 532/4885SLC7A5 76/4885ALPI 1223/4885
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 DPP4 664/4885SLC7A5 47/4885ALPI 1254/4885

“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.

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