SCHEMBL3797378

SCHEMBL3797378

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
SLC7A5 Q01650 1/20 0.43
SLC1A3 P43003 6/20 0.37
SLC1A2 P43004 6/20 0.37
SLC1A1 P43005 5/20 0.37
TSHR P16473 1/20 0.33
PTGS1 P23219 2/20 0.32
NR1I2 O75469 1/20 0.32
ADRA1A P35348 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
SLC7A11 Q9UPY5 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
SCHEMBL3797376 1.00 USP2 (0.50) USP2SLCO1B1SLC7A5SLC1A3SLC1A2
SCHEMBL4957561 1.00 USP2 (0.50) USP2SLCO1B1SLC7A5SLC1A3SLC1A2
SCHEMBL23200783 1.00 USP2 (0.50) USP2SLCO1B1SLC7A5SLC1A3SLC1A2
SCHEMBL757841 0.79
SCHEMBL3798816 0.79
SCHEMBL8055114 0.77 USP2 (0.54) USP2SLCO1B1SLC7A5SLC1A3SLC1A2
SCHEMBL27788890 0.77
SCHEMBL27332107 0.77
SCHEMBL497584 0.74 USP2 (0.52) USP2SLCO1B1SLC7A5SLC1A3SLC1A2
SCHEMBL29057555 0.74 SLC7A5 (0.46) USP2SLCO1B1SLC7A5SLC1A3SLC1A2

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-7785825-B2 Compositions and methods for dehydration and cyclization of peptides, synthetic compounds, and lantibiotics THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-08-31 US disclosed
US-20050164339-A1 Compositions and methods for dehydration and cyclization of peptides, synthetic compounds, and lantibiotics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-07-28 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-20050164339-A1 Compositions and methods for dehydration and cyclization of peptides, synthetic compounds, and lantibiotics VIP, PTMS, NRDC USP2 4225/4885SLCO1B1 4577/4885SLC7A5 778/4885

“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.