SCHEMBL1890772

SCHEMBL1890772

C=CC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
CTSK P43235 10/20 0.40
CTSS P25774 6/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.36
CAPN1 P07384 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AAK1 Q2M2I8 1/20 0.35

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
SCHEMBL12963013 0.90 SMN1; SMN2 (0.44) SMN1; SMN2CTSKCTSSCTSLCTSB
SCHEMBL1128594 0.90 SMN1; SMN2 (0.44) SMN1; SMN2CTSKCTSSCTSLCTSB
SCHEMBL30965306 0.90 SMN1; SMN2 (0.44) SMN1; SMN2CTSKCTSSCTSLCTSB
SCHEMBL12676810 0.89 SMN1; SMN2 (0.39) SMN1; SMN2CTSKCTSSCTSLCTSB
SCHEMBL15083313 0.86 SMN1; SMN2 (0.49) SMN1; SMN2CTSKCTSSCTSLCTSB
SCHEMBL16289367 0.86 SMN1; SMN2 (0.49) SMN1; SMN2CTSKCTSSCTSLCTSB
SCHEMBL15987032 0.85 L3MBTL1 (0.34) SMN1; SMN2CTSKMAPTPOLBNPSR1
SCHEMBL14684362 0.84 CTSK (0.56) SMN1; SMN2CTSKCTSSCTSLCTSB
SCHEMBL14681218 0.84 CTSK (0.43) SMN1; SMN2CTSKCTSSCTSLCTSB
SCHEMBL1818008 0.84 CTSK (0.43) SMN1; SMN2CTSKCTSSCTSLCTSB

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 25 patents — showing the first 20. 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-9238631-B2 Radiolabeled amino acids for diagnostic imaging PIRAMAL IMAGING SA (CH) 2016-01-19 US disclosed
US-9238631-B2 Radiolabeled amino acids for diagnostic imaging PIRAMAL IMAGING SA (CH) 2016-01-19 US disclosed
US-20150011773-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING PIRAMAL IMAGING SA (CH) 2015-01-08 US disclosed
US-20150011773-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING PIRAMAL IMAGING SA (CH) 2015-01-08 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
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 (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-20150011773-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING SLC1A5, SLC6A19, BCAT2 SMN1; SMN2 2934/4885CTSK 627/4885CTSS 809/4885
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 SMN1; SMN2 2566/4885CTSK 2573/4885CTSS 2938/4885
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 SMN1; SMN2 2566/4885CTSK 2573/4885CTSS 2938/4885
US-20110064673-A1 New L-Glutamic acid and L-Glutamine derivative (III), use thereof and method for obtaining them GLUL, GATD3, QPCT SMN1; SMN2 3806/4885CTSK 2187/4885CTSS 2870/4885
US-20140227191-A1 L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM GLUL, GATD3, QPCT SMN1; SMN2 3474/4885CTSK 2281/4885CTSS 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.