SCHEMBL1864403

SCHEMBL1864403

N[C@@H](C[C@H](Cc1cc(C(F)(F)F)ccc1F)C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 5/20 0.55
GRIK2 Q13002 5/20 0.55
SLC1A3 P43003 5/20 0.48
SLC1A2 P43004 5/20 0.48
SLC1A1 P43005 5/20 0.48
GRB2 P62993 1/20 0.45
IDO1 P14902 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
KIF11 P52732 1/20 0.41

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
SCHEMBL12629289 1.00 GRIK1 (0.55) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL12762358 1.00 GRIK1 (0.55) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL12629396 1.00 GRIK1 (0.55) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL12762359 0.79 SLC1A3 (0.67) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL2266372 0.79 SLC1A3 (0.67) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL13636190 0.77 SLC1A1 (0.64) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL13957619 0.76 GRB2 (0.54) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL5300296 0.72 GRB2 (0.52) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL25182268 0.71 IDO1 (0.47) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL22444783 0.71 IDO1 (0.47) GRIK1GRIK2SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140227191-A1 L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-14 US disclosed
US-20140227191-A1 L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-14 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
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
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
US-20110064673-A1 New L-Glutamic acid and L-Glutamine derivative (III), use thereof and method for obtaining them PIRAMAL IMAGING SA (CH) 2011-03-17 US disclosed
US-20110064673-A1 New L-Glutamic acid and L-Glutamine derivative (III), use thereof and method for obtaining them PIRAMAL IMAGING SA (CH) 2011-03-17 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 (3 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-20110064673-A1 New L-Glutamic acid and L-Glutamine derivative (III), use thereof and method for obtaining them GLUL, GATD3, QPCT GRIK1 26/4885GRIK2 33/4885SLC1A3 7/4885
US-20140227191-A1 L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM GLUL, GATD3, QPCT GRIK1 28/4885GRIK2 32/4885SLC1A3 5/4885
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 GRIK1 43/4885GRIK2 30/4885SLC1A3 9/4885

“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.