SCHEMBL12629319

SCHEMBL12629319

CC(=O)C(N)CC(Cc1ccc([N+](=O)[O-])c([18F])c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ SLC1A3 P43003 1/20 0.43
▸ SLC1A2 P43004 1/20 0.43
▸ SLC1A1 P43005 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ GRM8 O00222 1/20 0.38
▸ GRM6 O15303 1/20 0.38
▸ GRM4 Q14833 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ RECQL P46063 1/20 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
SCHEMBL12762351 0.92 SLC1A3 (0.52) ALDH1A1SLC1A3SLC1A2SLC1A1TDP1
SCHEMBL12629279 0.92 SLC1A3 (0.52) ALDH1A1SLC1A3SLC1A2SLC1A1TDP1
SCHEMBL12629282 0.91 ALDH1A1 (0.46) ALDH1A1SLC1A3SLC1A2SLC1A1GRM8
SCHEMBL22121087 0.85 SLC7A5 (0.51) ALDH1A1TDP1ATMGRM8GRM6
SCHEMBL12629318 0.82 SLC1A3 (0.52) ALDH1A1SLC1A3SLC1A2SLC1A1GRM8
SCHEMBL1117276 0.82 SLC1A3 (0.52) ALDH1A1SLC1A3SLC1A2SLC1A1GRM8
SCHEMBL13464176 0.81 SLC1A1 (0.54) SLC1A3SLC1A2SLC1A1TDP1KDM4E
SCHEMBL13620595 0.79 SLC1A1 (0.49) SLC1A3SLC1A2SLC1A1TDP1KDM4E
SCHEMBL10914789 0.78 ATM (0.50) ALDH1A1TDP1ATMRECQL
SCHEMBL10914791 0.78 ATM (0.50) ALDH1A1TDP1ATMRECQL

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-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 (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-20110104057-A1 Novel [F-18]-labelled L-glutamic acid and L-glutamine derivatives (II), their use and processes for their preparation GLUL, QPCT, SLC1A2 ALDH1A1 1298/4885SLC1A3 9/4885SLC1A2 3/4885

“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.

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