SCHEMBL456667

SCHEMBL456667

N[C@@H](Cc1cc2ccc(Cl)cc2[nH]1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.47
DAO P14920 1/20 0.44
KMO O15229 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 5/20 0.44
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42

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
SCHEMBL29410439 1.00 SIRT1 (0.47) SIRT1DAOKMOCYP1A2CYP3A4
SCHEMBL456666 1.00 SIRT1 (0.47) SIRT1DAOKMOCYP1A2CYP3A4
SCHEMBL11033505 0.89 SIRT1 (0.61) SIRT1DAOCYP1A2CYP3A4CYP2C9
SCHEMBL29410437 0.83 SLC7A5 (0.42) CYP3A4ALOX15ALPIPKMPTGS1
SCHEMBL456003 0.83 SLC7A5 (0.42) CYP3A4ALOX15ALPIPKMPTGS1
SCHEMBL456004 0.83 SLC7A5 (0.42) CYP3A4ALOX15ALPIPKMPTGS1
SCHEMBL29440959 0.81 ALPI (0.54) DAOALPIPKMPTGS1XIAP
SCHEMBL29574121 0.81 ALPI (0.54) DAOALPIPKMPTGS1XIAP
SCHEMBL4393088 0.81 ALPI (0.54) DAOALPIPKMPTGS1XIAP
SCHEMBL45382 0.81 ALPI (0.54) DAOALPIPKMPTGS1XIAP

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 SIRT1 3759/4885DAO 12/4885KMO 484/4885
US-20080214439-A1 AMINO ACID SUBSTITUTED MOLECULES BCAT2, DNPEP, PTMS SIRT1 3759/4885DAO 12/4885KMO 484/4885
US-20100254943-A1 AMINO ACID SUBSTITUTED MOLECULES BCAT2, DNPEP, PTMS SIRT1 3759/4885DAO 12/4885KMO 484/4885
US-20080044854-A1 SITE-SPECIFIC INCORPORATION OF AMINO ACIDS INTO MOLECULES AARS1, TRMT1, NSUN3 SIRT1 4555/4885DAO 42/4885KMO 1383/4885
US-20080125347-A1 AMINO ACID SUBSTITUTED MOLECULES BCAT2, DNPEP, PTMS SIRT1 3759/4885DAO 12/4885KMO 484/4885

“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.