SCHEMBL2402182

SCHEMBL2402182

C=CCOC(=O)CC(C)C[C@H](N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 11/20 0.44
GRIK2 Q13002 8/20 0.44
SLC7A5 Q01650 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
SLC1A3 P43003 4/20 0.40
SLC1A2 P43004 4/20 0.40
SLC1A1 P43005 4/20 0.40
GRIA2 P42262 2/20 0.39
GRIA4 P48058 2/20 0.39
GRIK3 Q13003 2/20 0.39
GRIK5 Q16478 2/20 0.39
GRIA1 P42261 1/20 0.39
TSHR P16473 1/20 0.38
GRM1 Q13255 1/20 0.37
GRM2 Q14416 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
SCHEMBL2201786 0.87 GRIK1 (0.47) GRIK1GRIK2SLC7A5TDP1GRIA2
SCHEMBL2201794 0.87 GRIK1 (0.47) GRIK1GRIK2SLC7A5TDP1GRIA2
Hydrochloric Acid SCHEMBL29425835 0.85 GRIK1 (0.46) GRIK1GRIK2SLC7A5TDP1GRIA2
SCHEMBL7247897 0.80 GRIK1 (0.43) GRIK1GRIK2SLC7A5SLC1A3SLC1A2
SCHEMBL3264927 0.78 TDP1 (0.50) TDP1TSHR
SCHEMBL8662604 0.78 TDP1 (0.44) GRIK1GRIK2SLC7A5TDP1SLC1A3
SCHEMBL7359265 0.76 SLC1A1 (0.54) GRIK1GRIK2SLC7A5SLC1A3SLC1A2
SCHEMBL9449386 0.76 SLC1A1 (0.54) GRIK1GRIK2SLC7A5SLC1A3SLC1A2
SCHEMBL16574651 0.76 TDP1 (0.49) TDP1TSHR
SCHEMBL27458508 0.76 TSHR (0.49) TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2937334-B1 PROPIONIC ACIDS, PROPIONIC ACID ESTERS, AND RELATED COMPOUNDS PROMENTIS PHARM INC (US) 2017-04-19 EP disclosed
EP-2937334-A1 PROPIONIC ACIDS, PROPIONIC ACID ESTERS, AND RELATED COMPOUNDS Promentis Pharmaceuticals, Inc. (US) 2015-10-28 EP disclosed
US-8815905-B2 Propionic acids, propionic acid esters, and related compounds PROMENTIS PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
EP-2545033-A2 PROPIONIC ACIDS, PROPIONIC ACID ESTERS, AND RELATED COMPOUNDS Promentis Pharmaceuticals, Inc. (US) 2013-01-16 EP disclosed
WO-2011112535-A2 PROPIONIC ACIDS, PROPIONIC ACID ESTERS, AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2011-09-15 WO disclosed
US-20110224156-A1 Propionic Acids, Propionic Acid Esters, and Related Compounds ALBANY MOLECULAR RESEARCH, INC. 2011-09-15 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-20110224156-A1 Propionic Acids, Propionic Acid Esters, and Related Compounds PCCA, PC, PMP22 GRIK1 27/4885GRIK2 26/4885SLC7A5 1430/4885

“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.