SCHEMBL1463629

SCHEMBL1463629

[2H]C([2H])([2H])C(=O)NC(CC=C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS2 P35354 1/20 0.41
THPO P40225 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
FOLH1 Q04609 3/20 0.36
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
TGFBR1 P36897 2/20 0.34
CYP2C19 P33261 1/20 0.33
CPA1 P15085 1/20 0.33
GNPAT O15228 1/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.32
MEN1 O00255 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
SCHEMBL15497996 0.86 MAPT (0.55) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL13465715 0.86 MAPT (0.55) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL713231 0.86 MAPT (0.55) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL6632346 0.76 NOD1 (0.40) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL627305 0.76 TGFBR1 (0.39) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL627304 0.76 TGFBR1 (0.39) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL5562691 0.76 ACE (0.43) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL10602859 0.76 FOLH1 (0.42) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL8241166 0.75 FOLH1 (0.38) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL14470445 0.75 FOLH1 (0.38) MAPTKDM4ETHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8945940-B2 Mass- and property-tuned variable mass labeling reagents and analytical methods for simultaneous peptide sequencing and multiplexed protein quantification using thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2015-02-03 US disclosed
EP-2382184-A2 MASS- AND PROPERTY-TUNED VARIABLE MASS LABELING REAGENTS AND ANALYTICAL METHODS FOR SIMULTANEOUS PEPTIDE SEQUENCING AND MULTIPLEXED PROTEIN QUANTIFICATION USING THEREOF Postech Academy-industry Foundation (KR) 2011-11-02 EP disclosed
US-20110071040-A1 MASS- AND PROPERTY-TUNED VARIABLE MASS LABELING REAGENTS AND ANALYTICAL METHODS FOR SIMULTANEOUS PEPTIDE SEQUENCING AND MULTIPLEXED PROTEIN QUANTIFICATION USING THEREOF POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2011-03-24 US disclosed
WO-2010008159-A2 MASS- AND PROPERTY-TUNED VARIABLE MASS LABELING REAGENTS AND ANALYTICAL METHODS FOR SIMULTANEOUS PEPTIDE SEQUENCING AND MULTIPLEXED PROTEIN QUANTIFICATION USING THEREOF POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2010-01-21 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 (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-20110071040-A1 MASS- AND PROPERTY-TUNED VARIABLE MASS LABELING REAGENTS AND ANALYTICAL METHODS FOR SIMULTANEOUS PEPTIDE SEQUENCING AND MULTIPLEXED PROTEIN QUANTIFICATION USING THEREOF SRMS, PTMS, QPCTL MAPT 3118/4885KDM4E 1440/4885THRB 3817/4885

“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.