SCHEMBL12563243

SCHEMBL12563243

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.40
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PTGS1 P23219 1/20 0.36
TP53 P04637 1/20 0.35
SLC1A3 P43003 3/20 0.32
SLC1A2 P43004 3/20 0.32
SLC1A1 P43005 2/20 0.32
ENPEP Q07075 2/20 0.31
GABRP O00591 4/20 0.31
GABRD O14764 4/20 0.31
GABRA1 P14867 4/20 0.31
GABRB1 P18505 4/20 0.31
GABRG2 P18507 4/20 0.31
GABRB3 P28472 4/20 0.31
GABRA5 P31644 4/20 0.31
GABRA3 P34903 4/20 0.31
GABRA2 P47869 4/20 0.31
GABRB2 P47870 4/20 0.31
GABRA4 P48169 4/20 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
SCHEMBL12604769 1.00 SLC7A5 (0.40) SLC7A5ALDH1A1MAPTPTGS1TP53
SCHEMBL11536438 1.00 SLC7A5 (0.40) SLC7A5ALDH1A1MAPTPTGS1TP53
SCHEMBL12563237 0.81 SLC7A5 (0.42) SLC7A5ALDH1A1MAPTPTGS1TP53
SCHEMBL12869253 0.79 TP53 (0.38) SLC7A5TP53SLC1A3SLC1A2SLC1A1
SCHEMBL12869250 0.79 TP53 (0.38) SLC7A5TP53SLC1A3SLC1A2SLC1A1
SCHEMBL5511730 0.79 TP53 (0.38) SLC7A5TP53SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL28247471 0.78
SCHEMBL6974551 0.77 SLC7A5 (0.48) SLC7A5ALDH1A1MAPTPTGS1TP53
SCHEMBL318356 0.77 SLC7A5 (0.48) SLC7A5ALDH1A1MAPTPTGS1TP53
SCHEMBL8966152 0.77 SLC7A5 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 605/4885ALDH1A1 357/4885MAPT 3126/4885

“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.