SCHEMBL12563237

SCHEMBL12563237

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.42
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
TP53 P04637 1/20 0.32
LTA4H P09960 1/20 0.31

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
SCHEMBL12563243 0.81 SLC7A5 (0.40) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL12604769 0.81 SLC7A5 (0.40) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL11536438 0.81 SLC7A5 (0.40) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL12869253 0.80 TP53 (0.38) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL12869250 0.80 TP53 (0.38) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL5511730 0.80 TP53 (0.38) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL13324761 0.76 TP53 (0.35) SLC7A5TP53
SCHEMBL25564622 0.74 TP53 (0.39) SLC7A5TP53
Cadaverine Tartrate SCHEMBL7319560 0.72 TSHR (0.40) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL14670244 0.70 ALDH1A1 (0.33) SLC7A5ALDH1A1MAPTPTGS1TP53

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-2327685-B1 PROCESS FOR PRODUCTION OF ALPHA-TRIFLUOROMETHYL- BETA-SUBSTITUTED- BETA -AMINO ACID CENTRAL GLASS CO LTD (JP) 2015-10-14 EP disclosed
US-8524913-B2 Process for production of α-trifluoromethyl-β-substituted-β-amino acid CENTRAL GLASS COMPANY, LIMITED (JP) 2013-09-03 US disclosed
US-8524913-B2 Process for production of α-trifluoromethyl-β-substituted-β-amino acid CENTRAL GLASS COMPANY, LIMITED (JP) 2013-09-03 US disclosed
US-20110152536-A1 Process for Production of Alpha-Trifluoromethyl-Beta-Substituted-Beta-Amino Acid CENTRAL GLASS COMPANY, LIMITED (JP) 2011-06-23 US disclosed
US-20110152536-A1 Process for Production of Alpha-Trifluoromethyl-Beta-Substituted-Beta-Amino Acid CENTRAL GLASS COMPANY, LIMITED (JP) 2011-06-23 US disclosed
EP-2327685-A1 PROCESS FOR PRODUCTION OF -TRIFLUOROMETHYL- -SUBSTITUTED- -AMINO ACID Central Glass Company, Limited (JP) 2011-06-01 EP 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-20110152536-A1 Process for Production of Alpha-Trifluoromethyl-Beta-Substituted-Beta-Amino Acid BCAT2, BCAT1, DAO SLC7A5 605/4885SLC1A3 1024/4885SLC1A2 796/4885

“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.