SCHEMBL13639674

SCHEMBL13639674

CC(C)(C)OC(=O)N[C@@H](C[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.58
PTPN1 P18031 3/20 0.56
REN P00797 1/20 0.52
PPARA Q07869 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
ITGB3 P05106 3/20 0.50
ITGA2B P08514 3/20 0.50
CTSS P25774 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
YAP1 P46937 2/20 0.49
LTA4H P09960 1/20 0.48
PSMB10 P40306 1/20 0.48
MCL1 Q07820 1/20 0.48
PPARG P37231 1/20 0.47
ACE P12821 1/20 0.47

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
SCHEMBL16387557 1.00 BCL2 (0.58) BCL2PTPN1RENPPARAHDAC8
SCHEMBL13571647 0.88 PTPN1 (0.62) BCL2PTPN1RENPPARAHDAC8
SCHEMBL13571645 0.88 PTPN1 (0.62) BCL2PTPN1RENPPARAHDAC8
SCHEMBL13570804 0.88 PTPN1 (0.62) BCL2PTPN1RENPPARAHDAC8
SCHEMBL13639719 0.87 BCL2 (0.47) BCL2PTPN1RENPPARACTSS
SCHEMBL16343366 0.86 LTA4H (0.47) BCL2PTPN1PPARAYAP1LTA4H
SCHEMBL16343367 0.86 LTA4H (0.47) BCL2PTPN1PPARAYAP1LTA4H
SCHEMBL16387549 0.85 ITGB3 (0.52) BCL2PTPN1HDAC8ITGB3ITGA2B
SCHEMBL3350988 0.85 BCL2 (0.64) BCL2PTPN1RENPPARAHDAC8
SCHEMBL6161729 0.85 BCL2 (0.64) BCL2PTPN1RENPPARAHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20150011773-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING SLC1A5, SLC6A19, BCAT2 BCL2 4876/4885PTPN1 4784/4885REN 1905/4885
US-20130034497-A1 IODINE-LABELED HOMOGLUTAMIC ACID AND GLUTAMIC ACID DERIVATIVES GLUL, GCG, GLS BCL2 4530/4885PTPN1 4634/4885REN 1258/4885

“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.