SCHEMBL4419903

SCHEMBL4419903

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.52
SLC1A3 P43003 3/20 0.39
SLC1A2 P43004 3/20 0.39
SLC1A1 P43005 2/20 0.39
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PTGS1 P23219 1/20 0.36
TP53 P04637 1/20 0.35
USP2 O75604 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
ENPEP Q07075 2/20 0.31
GABRP O00591 3/20 0.31
GABRD O14764 3/20 0.31
GABRA1 P14867 3/20 0.31
GABRB1 P18505 3/20 0.31
GABRG2 P18507 3/20 0.31
GABRB3 P28472 3/20 0.31
GABRA5 P31644 3/20 0.31
GABRA3 P34903 3/20 0.31
GABRA2 P47869 3/20 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
SCHEMBL4420550 1.00 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL4423815 1.00 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL27915349 1.00 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL16753714 1.00 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL189158 1.00 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL4426649 1.00 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL189157 1.00 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
Hydrochloric Acid SCHEMBL28009300 0.98 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
Hydrochloric Acid SCHEMBL15533962 0.98 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL7044455 0.81 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309198-B2 N-[3-(2-carboxyethyl)phenyl]piperidin-1-ylacetamide derivatives and use thereof as activators of soluble guanylate cyclase BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-12 US disclosed
US-20150152050-A1 N-[3-(2-CARBOXYETHYL)PHENYL]PIPERIDIN-1-YLACETAMIDE DERIVATIVES AND USE THEREOF AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-04 US disclosed
CN-104470895-A N-[3-(2-carboxyethyl)phenyl]piperidin-1-ylacetamide derivatives and use thereof as activators of soluble guanylate cyclase Bayer Pharma AG 2015-03-25 CN disclosed
US-20090326196-A1 Proteins Containing a Fluorinated Amino Acid, and Methods of Using Same TRUSTEES OF TUFTS COLLEGE 2009-12-31 US disclosed
US-20090326196-A1 Proteins Containing a Fluorinated Amino Acid, and Methods of Using Same TRUSTEES OF TUFTS COLLEGE 2009-12-31 US disclosed
US-20090326196-A1 Proteins Containing a Fluorinated Amino Acid, and Methods of Using Same TRUSTEES OF TUFTS COLLEGE 2009-12-31 US disclosed
US-7371867-B2 Non-racemic trifluoroleucine, and methods of making and using TRUSTEES OF TUFTS COLLEGE (US) 2008-05-13 US disclosed
US-7371867-B2 Non-racemic trifluoroleucine, and methods of making and using TRUSTEES OF TUFTS COLLEGE (US) 2008-05-13 US disclosed
US-7371867-B2 Non-racemic trifluoroleucine, and methods of making and using TRUSTEES OF TUFTS COLLEGE (US) 2008-05-13 US 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-20070112200-A1 Non-racemic hexafluoreleucine,and methods of making and using it TRUSTEES OF TUFTS COLLEGE (US) 2007-05-17 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20150152050-A1 N-[3-(2-CARBOXYETHYL)PHENYL]PIPERIDIN-1-YLACETAMIDE DERIVATIVES AND USE THEREOF AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE GUCY1A2, GUCY1A1, GUCY1B2 SLC7A5 4075/4885SLC1A3 2623/4885SLC1A2 2677/4885
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.