SCHEMBL1820405

SCHEMBL1820405

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.52
CTSS P25774 4/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
CYP2D6 P10635 1/20 0.43
ATM Q13315 1/20 0.42
P2RY2 P41231 1/20 0.42
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL13069088 0.92 CTSK (0.51) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL13570964 0.90 CYP1A2 (0.50) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL13570965 0.90 CYP1A2 (0.50) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL12572284 0.88 CTSK (0.45) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL9196011 0.88 CTSK (0.50) CTSKCTSSTDP1ATMP2RY2
SCHEMBL17600320 0.88 CTSK (0.52) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL17600321 0.88 CTSK (0.52) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL11506791 0.88 CTSK (0.49) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL13069729 0.88 CTSK (0.50) CTSKCTSSTDP1ATMP2RY2
SCHEMBL2070869 0.87 CTSK (0.49) CTSKCTSSCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9017645-B2 Homoglutamic acid derivatives PIRAMAL IMAGING SA (CH) 2015-04-28 US disclosed
US-9017645-B2 Homoglutamic acid derivatives PIRAMAL IMAGING SA (CH) 2015-04-28 US disclosed
US-20130071327-A1 HOMOGLUTAMIC ACID DERIVATIVES PIRAMAL IMAGING SA (CH) 2013-03-21 US disclosed
US-20130071327-A1 HOMOGLUTAMIC ACID DERIVATIVES PIRAMAL IMAGING SA (CH) 2013-03-21 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
EP-2520556-A1 Radiolabeled amino acids for diagnostic imaging Bayer Pharma Aktiengesellschaft (DE) 2012-11-07 EP disclosed
EP-2501416-A1 IODINE-LABELED HOMOGLUTAMIC ACID AND GLUTAMIC ACID DERIVATIVES Piramal Imaging SA (CH) 2012-09-26 EP disclosed
WO-2011061154-A1 IODINE-LABELED HOMOGLUTAMIC ACID AND GLUTAMIC ACID DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 WO disclosed
WO-2011057986-A1 HOMOGLUTAMIC ACID DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-19 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 (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-20130034497-A1 IODINE-LABELED HOMOGLUTAMIC ACID AND GLUTAMIC ACID DERIVATIVES GLUL, GCG, GLS CTSK 1448/4885CTSS 2695/4885CYP1A2 3870/4885
US-20130071327-A1 HOMOGLUTAMIC ACID DERIVATIVES FGB, GGCT, RIMKLA CTSK 483/4885CTSS 958/4885CYP1A2 3500/4885

“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.