SCHEMBL456003

SCHEMBL456003

NC(Cc1cc2ccc(Br)cc2[nH]1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.42
PTGS1 P23219 2/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
XIAP P98170 1/20 0.42
CYP3A4 P08684 1/20 0.40
PIN1 Q13526 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
EGFR P00533 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ALOX15 P16050 1/20 0.38
HTR2A P28223 1/20 0.38
PTGS2 P35354 1/20 0.38
RECQL P46063 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL456004 1.00 SLC7A5 (0.42) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL29410437 1.00 SLC7A5 (0.42) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL454981 0.89 PYGL (0.43) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL454982 0.89 PYGL (0.43) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL29410439 0.83 SIRT1 (0.47) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL456666 0.83 SIRT1 (0.47) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL456667 0.83 SIRT1 (0.47) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL4393088 0.81 ALPI (0.54) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL45382 0.81 ALPI (0.54) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL29574121 0.81 ALPI (0.54) SLC7A5PTGS1ALPIPKMXIAP

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 181 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771263-B2 Crystals of semiconductor material having a tuned band gap energy and method for preparation thereof TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2017-09-26 US claimed
US-20150090942-A1 CRYSTALS OF SEMICONDUCTOR MATERIAL HAVING A TUNED BAND GAP ENERGY AND METHOD FOR PREPARATION THEREOF TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2015-04-02 US claimed
US-8980581-B2 Site-specific incorporation of amino acids into molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-03-17 US claimed
US-20140045261-A1 SITE-SPECIFIC INCORPORATION OF AMINO ACIDS INTO MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-02-13 US claimed
US-8518666-B2 Site-specific incorporation of amino acids into molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-08-27 US claimed
EP-2444499-A2 Amino acid substituted molecules Allozyne, Inc. (US) 2012-04-25 EP claimed
US-20100254943-A1 AMINO ACID SUBSTITUTED MOLECULES ALLOZYNE, INC. (US) 2010-10-07 US claimed
EP-2190856-A2 POLYPEPTIDES WITH MODIFIED AMINO ACIDS Allozyne, Inc. (US) 2010-06-02 EP claimed
WO-2009026393-A2 AMINO ACID SUBSTITUTED MOLECULES ALLOZYNE, INC. (US) 2009-02-26 WO claimed
EP-2018437-A2 NON-NATURAL AMINO ACID SUBSTITUTED POLYPEPTIDES Allozyne, Inc. (US) 2009-01-28 EP claimed
EP-1999259-A2 SITE-SPECIFIC INCORPORATION OF AMINO ACIDS INTO MOLECULES California Institute of Technology (US) 2008-12-10 EP claimed
US-20080214439-A1 AMINO ACID SUBSTITUTED MOLECULES ALLOZYNE, INC. (US) 2008-09-04 US claimed
US-20080125347-A1 AMINO ACID SUBSTITUTED MOLECULES ALLOZYNE, INC. (US) 2008-05-29 US claimed
US-20080096819-A1 Amino acid substituted molecules ALLOZYNE, INC. (US) 2008-04-24 US claimed
US-20080044854-A1 SITE-SPECIFIC INCORPORATION OF AMINO ACIDS INTO MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-02-21 US claimed
WO-2007130453-A2 NON-NATURAL AMINO ACID SUBSTITUTED POLYPEPTIDES ALLOZYNE, INC. (US) 2007-11-15 WO claimed
WO-2007103307-A2 SITE-SPECIFIC INCORPORATION OF AMINO ACIDS INTO MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-09-13 WO claimed
EP-4100044-B1 COMPOSITIONS COMPRISING AMELOGENIN AND USES THEREOF PRUDENTIX LTD (IL) 2026-04-01 EP disclosed
WO-2007130453-A2 NON-NATURAL AMINO ACID SUBSTITUTED POLYPEPTIDES ALLOZYNE, INC. (US) 2007-11-15 WO disclosed
WO-2007103307-A2 SITE-SPECIFIC INCORPORATION OF AMINO ACIDS INTO MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-09-13 WO 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 (5 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-20080096819-A1 Amino acid substituted molecules BCAT2, DNPEP, PTMS SLC7A5 50/4885PTGS1 2652/4885ALPI 4832/4885
US-20080214439-A1 AMINO ACID SUBSTITUTED MOLECULES BCAT2, DNPEP, PTMS SLC7A5 50/4885PTGS1 2652/4885ALPI 4832/4885
US-20100254943-A1 AMINO ACID SUBSTITUTED MOLECULES BCAT2, DNPEP, PTMS SLC7A5 50/4885PTGS1 2652/4885ALPI 4832/4885
US-20080044854-A1 SITE-SPECIFIC INCORPORATION OF AMINO ACIDS INTO MOLECULES AARS1, TRMT1, NSUN3 SLC7A5 110/4885PTGS1 3833/4885ALPI 4073/4885
US-20080125347-A1 AMINO ACID SUBSTITUTED MOLECULES BCAT2, DNPEP, PTMS SLC7A5 50/4885PTGS1 2652/4885ALPI 4832/4885

“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.