SCHEMBL4430146

SCHEMBL4430146

CSCCC(NC(F)(F)F)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.41
GAA P10253 1/20 0.41
USP2 O75604 2/20 0.41
TSHR P16473 1/20 0.41
FOLH1 Q04609 1/20 0.41
CA2 P00918 2/20 0.40
MAPK1 P28482 2/20 0.40
CA1 P00915 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL4430147 1.00 RNPEP (0.46) RNPEPLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL474907 0.84 ALDH1A1 (0.43) RNPEPLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL2106793 0.83 RNPEP (0.47) RNPEPLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL14383421 0.83 RNPEP (0.47) RNPEPLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL2106791 0.83 RNPEP (0.47) RNPEPLMNASMN1; SMN2ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL8602261 0.81 RNPEP (0.46) RNPEPLMNASMN1; SMN2ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL8602262 0.81 RNPEP (0.46) RNPEPLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL8760496 0.80 LMNA (0.44) RNPEPLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL8760503 0.80 LMNA (0.44) RNPEPLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL8396926 0.79 LMNA (0.50) RNPEPLMNASMN1; SMN2ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109091681-A [18F]Trifluoromethyl sulfur-containing amino acid PET developer and preparation method and application thereof 中山大学附属第医院 2018-12-28 CN claimed
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
CN-109091681-B [18F]Trifluoromethyl sulfur-containing amino acid PET developer and preparation method and application thereof 中山大学附属第一医院 2021-08-03 CN disclosed
CN-109091681-A [18F]Trifluoromethyl sulfur-containing amino acid PET developer and preparation method and application thereof 中山大学附属第医院 2018-12-28 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
EP-1993582-A2 PROTEINS CONTAINING A FLUORINATED AMINO ACID, AND METHODS OF USING SAME Trustees Of Tufts College (US) 2008-11-26 EP 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-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 RNPEP 15/4885LMNA 3685/4885SMN1; SMN2 1879/4885
US-20070112200-A1 Non-racemic hexafluoreleucine,and methods of making and using it CRYZ, FABP5, FAU RNPEP 260/4885LMNA 2293/4885SMN1; SMN2 2812/4885
US-20040138493-A1 Non-racemic hexafluoreleucine, and methods of making and using it NPFFR1, FNTB, CRYZ RNPEP 964/4885LMNA 2240/4885SMN1; SMN2 1272/4885

“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.