SCHEMBL12629360

SCHEMBL12629360

COC(=O)[C@@H](CCCCCC[18F])C[C@H](NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CTSS P25774 5/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
BIRC2 Q13490 2/20 0.37

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
SCHEMBL12629250 1.00 CTSK (0.40) CTSKHDAC4HDAC1HDAC6ITGB3
SCHEMBL13623345 1.00 CTSK (0.40) CTSKHDAC4HDAC1HDAC6ITGB3
SCHEMBL4294234 1.00 CTSK (0.40) CTSKHDAC4HDAC1HDAC6ITGB3
SCHEMBL12410348 0.99 CTSK (0.41) CTSKHDAC4HDAC1HDAC6ITGB3
SCHEMBL12410343 0.95 CTSK (0.42) CTSKHDAC4HDAC1HDAC6ITGB3
SCHEMBL12676608 0.95 CTSK (0.42) CTSKHDAC4HDAC1HDAC6ITGB3
SCHEMBL1127882 0.95 CTSK (0.42) CTSKHDAC4HDAC1HDAC6ITGB3
SCHEMBL12629356 0.88 CTSK (0.50) CTSKCTSSBIRC2
SCHEMBL1117254 0.87 CTSK (0.40) CTSKHDAC4HDAC1HDAC6ITGB3
SCHEMBL1117169 0.87 CTSK (0.40) CTSKHDAC4HDAC1HDAC6ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130149243-A1 METHOD FOR PRODUCTION OF F-18 LABELED GLUTAMIC ACID DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 US disclosed
US-20110104057-A1 Novel [F-18]-labelled L-glutamic acid and L-glutamine derivatives (II), their use and processes for their preparation BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-05 US 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-20130149243-A1 METHOD FOR PRODUCTION OF F-18 LABELED GLUTAMIC ACID DERIVATIVES GLUL, SLC18A2, SLC1A2 CTSK 3026/4885HDAC4 4361/4885HDAC1 4604/4885
US-20110104057-A1 Novel [F-18]-labelled L-glutamic acid and L-glutamine derivatives (II), their use and processes for their preparation GLUL, QPCT, SLC1A2 CTSK 2544/4885HDAC4 4495/4885HDAC1 4499/4885

“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.