SCHEMBL12410348

SCHEMBL12410348

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
CTSS P25774 5/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
BIRC2 Q13490 2/20 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
SCHEMBL12629360 0.99 CTSK (0.40) CTSKITGB3ITGA2BCTSSNFKB1
SCHEMBL12629250 0.99 CTSK (0.40) CTSKITGB3ITGA2BCTSSNFKB1
SCHEMBL4294234 0.99 CTSK (0.40) CTSKITGB3ITGA2BCTSSNFKB1
SCHEMBL13623345 0.99 CTSK (0.40) CTSKITGB3ITGA2BCTSSNFKB1
SCHEMBL12410343 0.96 CTSK (0.42) CTSKITGB3ITGA2BCTSSNFKB1
SCHEMBL12676608 0.96 CTSK (0.42) CTSKITGB3ITGA2BCTSSNFKB1
SCHEMBL1127882 0.96 CTSK (0.42) CTSKITGB3ITGA2BCTSSNFKB1
SCHEMBL19606036 0.88 ITGB3 (0.45) CTSKITGB3ITGA2BCTSSNFKB1
SCHEMBL12629356 0.86 CTSK (0.50) CTSKCTSSBIRC2CA1CA2
SCHEMBL1127875 0.86 CTSK (0.41) CTSKITGB3ITGA2BCTSSNFKB1

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-20110165076-A1 NOVEL [F-18]- LABELLED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVES (I), USE THEREOF AND METHOD FOR THEIR PRODUCTION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 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

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-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 2573/4885ITGB3 3982/4885ITGA2B 3070/4885
US-20110165076-A1 NOVEL [F-18]- LABELLED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVES (I), USE THEREOF AND METHOD FOR THEIR PRODUCTION GLUL, QPCT, GFPT1 CTSK 2837/4885ITGB3 4439/4885ITGA2B 3843/4885

“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.