SCHEMBL457721

SCHEMBL457721

CC(C(N)C(=O)O)C(F)C(F)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.50
SLC1A3 P43003 3/20 0.38
SLC1A2 P43004 3/20 0.38
SLC1A1 P43005 2/20 0.38
TP53 P04637 1/20 0.33
NOS2 P35228 3/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
USP2 O75604 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
BHMT Q93088 1/20 0.31
BHMT2 Q9H2M3 1/20 0.31
ENPEP Q07075 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PTGS1 P23219 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
SCHEMBL10681854 0.85 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL7281021 0.85 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL20641486 0.81 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL17275347 0.81 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL5288444 0.80 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL15390938 0.80 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL18248063 0.80 SLC7A5 (0.62) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL18248060 0.80 SLC7A5 (0.62) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL29057555 0.79 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1NOS2
SCHEMBL29032593 0.79 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1NOS2

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090326196-A1 Proteins Containing a Fluorinated Amino Acid, and Methods of Using Same TRUSTEES OF TUFTS COLLEGE 2009-12-31 US claimed
EP-1993582-A2 PROTEINS CONTAINING A FLUORINATED AMINO ACID, AND METHODS OF USING SAME Trustees Of Tufts College (US) 2008-11-26 EP claimed
WO-2007084527-A2 PROTEINS CONTAINING A FLUORINATED AMINO ACID, AND METHODS OF USING SAME TRUSTEES OF TUFTS COLLEGE (US) 2007-07-26 WO claimed
EP-4071477-B1 COMPOSITIONS AND METHODS FOR DIAGNOSING LYME DISEASE AND FOR PREDICTING LYME DISEASE SPIROCHETE ELIMINATION AFTER TREATMENT QIAGEN SCIENCES LLC (US) 2026-01-21 EP disclosed
US-20240384267-A1 COMPOSITIONS AND METHODS FOR MULTIPLEX DECODING OF QUADRUPLET CODONS THE BROAD INSTITUTE, INC. 2024-11-21 US disclosed
US-20240361314-A1 COMPOSITIONS AND METHODS FOR DIAGNOSING LYME DISEASE AND FOR PREDICTING LYME DISEASE SPIROCHETE ELIMINATION AFTER TREATMENT QIAGEN SCIENCES LLC (US) 2024-10-31 US disclosed
US-20240294586-A1 TENASCIN-C AUTOANTIGENIC EPITOPES IN RHEUMATOID ARTHRITIS BENAROYA RES INSTITUTE AT VIRGINIA MASON (US) 2024-09-05 US disclosed
US-12066436-B2 Compositions and methods for diagnosing Lyme disease and for predicting Lyme disease spirochete elimination after treatment QIAGEN SCIENCES LLC (US) 2024-08-20 US disclosed
US-20240027450-A1 COMPOSITIONS AND METHODS FOR DIAGNOSING SARS-COV-2 (COVID-19) AND FOR MONITORING SARS-COV-2-SPECIFIC IMMUNOLOGICAL MEMORY QIAGEN SCIENCES LLC 2024-01-25 US disclosed
EP-4256334-A1 COMPOSITIONS AND METHODS FOR DIAGNOSING SARS-COV-2 (COVID-19) AND FOR MONITORING SARS-COV-2-SPECIFIC IMMUNOLOGICAL MEMORY Qiagen Sciences LLC (US) 2023-10-11 EP disclosed
WO-2023069816-A2 COMPOSITIONS AND METHODS FOR MULTIPLEX DECODING OF QUADRUPLET CODONS THE BROAD INSTITUTE, INC. (US) 2023-04-27 WO disclosed
WO-2008005531-A2 C-MET RECEPTOR REGULATION BY ANGIOTENSIN IV (AT4) RECEPTOR LIGANDS WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-01-10 WO disclosed
US-20080008701-A1 C-MET RECEPTOR REGULATION BY ANGIOTENSIN IV (AT4) RECEPTOR LIGANDS WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-01-10 US disclosed
WO-2007130453-A2 NON-NATURAL AMINO ACID SUBSTITUTED POLYPEPTIDES ALLOZYNE, INC. (US) 2007-11-15 WO disclosed
WO-2007103307-A2 SITE-SPECIFIC INCORPORATION OF AMINO ACIDS INTO MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-09-13 WO disclosed
WO-2007084527-A2 PROTEINS CONTAINING A FLUORINATED AMINO ACID, AND METHODS OF USING SAME TRUSTEES OF TUFTS COLLEGE (US) 2007-07-26 WO disclosed
US-20070112200-A1 Non-racemic hexafluoreleucine,and methods of making and using it TRUSTEES OF TUFTS COLLEGE (US) 2007-05-17 US disclosed
US-7132559-B2 Non-racemic hexafluoroleucine, and methods of making and using it TRUSTEES OF TUFTS COLLEGE (US) 2006-11-07 US disclosed
US-20040138493-A1 Non-racemic hexafluoreleucine, and methods of making and using it TRUSTEES OF TUFTS COLLEGE 2004-07-15 US disclosed
WO-2002068592-A2 NON-RACEMIC HEXAFLUORELEUCINE, AND METHODS OF MAKING AND USING IT TRUSTEES OF TUFTS COLLEGE (US) 2002-09-06 WO 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 (3 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-20090326196-A1 Proteins Containing a Fluorinated Amino Acid, and Methods of Using Same DNPEP, NPEPPS, ANPEP SLC7A5 618/4885SLC1A3 385/4885SLC1A2 647/4885
US-20070112200-A1 Non-racemic hexafluoreleucine,and methods of making and using it CRYZ, FABP5, FAU SLC7A5 1167/4885SLC1A3 2513/4885SLC1A2 2705/4885
US-20040138493-A1 Non-racemic hexafluoreleucine, and methods of making and using it NPFFR1, FNTB, CRYZ SLC7A5 1102/4885SLC1A3 2419/4885SLC1A2 1904/4885

“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.