SCHEMBL12410339

SCHEMBL12410339

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.42
CTSS P25774 7/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KLK5 Q9Y337 1/20 0.39
CAPN1 P07384 1/20 0.37
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PSEN1 P49768 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
SCHEMBL12629350 1.00 CTSK (0.42) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL12410343 0.87 CTSK (0.42) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL12676608 0.87 CTSK (0.42) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL1127882 0.87 CTSK (0.42) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL6168154 0.86 CTSK (0.48) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL6168157 0.86 CTSK (0.48) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL12410348 0.86 CTSK (0.41) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL30695390 0.85 CTSK (0.49) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL12629360 0.85 CTSK (0.40) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL12629250 0.85 CTSK (0.40) CTSKCTSSCTSLCTSBCYP1A2

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 2573/4885CTSS 2938/4885CTSL 2321/4885
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 2837/4885CTSS 3600/4885CTSL 2748/4885

“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.