SCHEMBL13413615

SCHEMBL13413615

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.42
USP2 O75604 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
PTGS1 P23219 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
NR1I2 O75469 1/20 0.31
ADRA1A P35348 1/20 0.31
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CETP P11597 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL13413617 1.00 SLC7A5 (0.42) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL13413616 1.00 SLC7A5 (0.42) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL647205 1.00 SLC7A5 (0.42) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL647206 1.00 SLC7A5 (0.42) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL17234503 0.76 SLC7A5 (0.43) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL17234504 0.76 SLC7A5 (0.43) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL188570 0.76 SLC7A5 (0.43) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL18528367 0.76 SLC7A5 (0.43) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL18528440 0.76 SLC7A5 (0.43) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL188569 0.76 SLC7A5 (0.43) SLC7A5USP2SLCO1B1SLC1A3SLC1A2

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-20100099845-A1 PROTECTED ENANTIOPURE TRIFLUOROTHREONINES AND METHODS OF MAKING AND USING SAME UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2010-04-22 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-20100099845-A1 PROTECTED ENANTIOPURE TRIFLUOROTHREONINES AND METHODS OF MAKING AND USING SAME PTMS, DHPS, DAO SLC7A5 247/4885USP2 2111/4885SLCO1B1 2018/4885

“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.