SCHEMBL13828772

SCHEMBL13828772

CC(=O)[C@H](N)C[C@@H]([18F])C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 17/20 0.38
NOS1 P29475 13/20 0.38
NOS3 P29474 11/20 0.38
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC7A5 Q01650 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL13828946 1.00 NOS2 (0.38) NOS2NOS1NOS3MEN1CYP2C19
SCHEMBL13828779 1.00 NOS2 (0.38) NOS2NOS1NOS3MEN1CYP2C19
SCHEMBL13828774 1.00 NOS2 (0.38) NOS2NOS1NOS3MEN1CYP2C19
SCHEMBL13829043 1.00 NOS2 (0.38) NOS2NOS1NOS3MEN1CYP2C19
SCHEMBL13829011 1.00 NOS2 (0.38) NOS2NOS1NOS3MEN1CYP2C19
SCHEMBL16155052 1.00 NOS2 (0.38) NOS2NOS1NOS3MEN1CYP2C19
SCHEMBL16155050 0.82 FOLH1 (0.44) NOS2NOS1NOS3SLC7A5
SCHEMBL1233077 0.79 SLC7A5 (0.50) NOS2NOS1NOS3KMT2ASLC7A5
SCHEMBL3813048 0.79 SLC7A5 (0.50) NOS2NOS1NOS3KMT2ASLC7A5
SCHEMBL12900073 0.79 SLC7A5 (0.50) NOS2NOS1NOS3KMT2ASLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120288444-A1 SINGLE DIASTEREOMERS OF 4-FLUOROGLUTAMINE AND METHODS OF THEIR PREPARATION AND USE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-11-15 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 (1 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-20120288444-A1 SINGLE DIASTEREOMERS OF 4-FLUOROGLUTAMINE AND METHODS OF THEIR PREPARATION AND USE GCG, FPGS, FOLH1 NOS2 4514/4885NOS1 4511/4885NOS3 4510/4885

“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.