SCHEMBL1896321

SCHEMBL1896321

CC(C)(C)OC(=O)N[C@@H](C[C@H](CCCO)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.44
TDP1 Q9NUW8 2/20 0.43
CTSS P25774 5/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
CAPN1 P07384 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CYP2D6 P10635 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL1421112 1.00 CTSK (0.44) CTSKTDP1CTSSMEN1GAA
SCHEMBL1127859 0.90 CTSK (0.43) CTSKTDP1CTSSMEN1GAA
SCHEMBL19695765 0.88 CTSK (0.51) CTSKTDP1CTSSMEN1GAA
SCHEMBL613037 0.88 CTSK (0.51) CTSKTDP1CTSSMEN1GAA
SCHEMBL5033246 0.88 CTSK (0.51) CTSKTDP1CTSSMEN1GAA
SCHEMBL613038 0.88 CTSK (0.51) CTSKTDP1CTSSMEN1GAA
SCHEMBL13043784 0.87 CTSK (0.43) CTSKTDP1CTSSMEN1GAA
SCHEMBL12762362 0.87 CTSK (0.43) CTSKTDP1CTSSMEN1GAA
SCHEMBL15025942 0.87 CTSK (0.43) CTSKTDP1CTSSMEN1GAA
SCHEMBL1891300 0.87 CTSK (0.43) CTSKCTSSMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9308282-B2 [F-18]-labelled L-glutamic acid and L-glutamine derivatives (I), their use and processes for their preparation PIRAMAL IMAGING SA (CH) 2016-04-12 US disclosed
US-9308282-B2 [F-18]-labelled L-glutamic acid and L-glutamine derivatives (I), their use and processes for their preparation PIRAMAL IMAGING SA (CH) 2016-04-12 US disclosed
US-20140227191-A1 L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-14 US disclosed
US-20140227191-A1 L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-14 US disclosed
US-20140154183-A1 NOVEL [F-18]-LABELLED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVES (I), THEIR USE AND PROCESSES FOR THEIR PREPARATION LIFE MOLECULAR IMAGING SA (CH) 2014-06-05 US disclosed
US-20140154183-A1 NOVEL [F-18]-LABELLED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVES (I), THEIR USE AND PROCESSES FOR THEIR PREPARATION LIFE MOLECULAR IMAGING SA (CH) 2014-06-05 US disclosed
US-20130149243-A1 METHOD FOR PRODUCTION OF F-18 LABELED GLUTAMIC ACID DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 US disclosed
US-20130149243-A1 METHOD FOR PRODUCTION OF F-18 LABELED GLUTAMIC ACID DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 US disclosed
US-20130034497-A1 IODINE-LABELED HOMOGLUTAMIC ACID AND GLUTAMIC ACID DERIVATIVES PIRAMAL IMAGING SA (CH) 2013-02-07 US disclosed
US-20130034497-A1 IODINE-LABELED HOMOGLUTAMIC ACID AND GLUTAMIC ACID DERIVATIVES PIRAMAL IMAGING SA (CH) 2013-02-07 US disclosed
WO-2011060887-A2 METHOD FOR PRODUCTION OF F-18 LABELED GLUTAMIC ACID DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 WO disclosed
WO-2011061154-A1 IODINE-LABELED HOMOGLUTAMIC ACID AND GLUTAMIC ACID DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 WO disclosed
EP-2322171-A2 Fluorine labeled L-glutamic acid derivatives Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
EP-2322171-A2 Fluorine labeled L-glutamic acid derivatives Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
US-20110064673-A1 New L-Glutamic acid and L-Glutamine derivative (III), use thereof and method for obtaining them PIRAMAL IMAGING SA (CH) 2011-03-17 US disclosed
US-20110064673-A1 New L-Glutamic acid and L-Glutamine derivative (III), use thereof and method for obtaining them PIRAMAL IMAGING SA (CH) 2011-03-17 US disclosed
US-20100290991-A1 NOVEL [F-18]-LABELLED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVES (I), THEIR USE AND PROCESSES FOR THEIR PREPARATION BAYER SCHERING PHARMA AG (DE) 2010-11-18 US disclosed
US-20100290991-A1 NOVEL [F-18]-LABELLED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVES (I), THEIR USE AND PROCESSES FOR THEIR PREPARATION BAYER SCHERING PHARMA AG (DE) 2010-11-18 US disclosed
WO-2009141090-A9 {F-19} -LABELED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-25 WO disclosed
WO-2009141090-A1 {F-19} -LABELED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 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 (6 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-20130149243-A1 METHOD FOR PRODUCTION OF F-18 LABELED GLUTAMIC ACID DERIVATIVES GLUL, SLC18A2, SLC1A2 CTSK 3026/4885TDP1 4165/4885CTSS 3632/4885
US-20100290991-A1 NOVEL [F-18]-LABELLED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVES (I), THEIR USE AND PROCESSES FOR THEIR PREPARATION GLUL, QPCT, SLC1A2 CTSK 2573/4885TDP1 4295/4885CTSS 2938/4885
US-20130034497-A1 IODINE-LABELED HOMOGLUTAMIC ACID AND GLUTAMIC ACID DERIVATIVES GLUL, GCG, GLS CTSK 1448/4885TDP1 3388/4885CTSS 2695/4885
US-20140154183-A1 NOVEL [F-18]-LABELLED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVES (I), THEIR USE AND PROCESSES FOR THEIR PREPARATION GLUL, QPCT, SLC1A2 CTSK 2573/4885TDP1 4295/4885CTSS 2938/4885
US-20110064673-A1 New L-Glutamic acid and L-Glutamine derivative (III), use thereof and method for obtaining them GLUL, GATD3, QPCT CTSK 2187/4885TDP1 4378/4885CTSS 2870/4885
US-20140227191-A1 L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM GLUL, GATD3, QPCT CTSK 2281/4885TDP1 4427/4885CTSS 3084/4885

“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.