SCHEMBL12648478

SCHEMBL12648478

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nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.52
BHMT Q93088 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
CACNA2D1 P54289 2/20 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
SCHEMBL75174 1.00 SLC7A5 (0.52) SLC7A5BHMTTDP1GABRPGABRD
SCHEMBL2263294 1.00 SLC7A5 (0.52) SLC7A5BHMTTDP1GABRPGABRD
SCHEMBL497652 1.00 SLC7A5 (0.52) SLC7A5BHMTTDP1GABRPGABRD
SCHEMBL398726 1.00 SLC7A5 (0.52) SLC7A5BHMTTDP1GABRPGABRD
SCHEMBL7411924 0.84 SLC7A5 (0.46) SLC7A5BHMTTDP1GABRPGABRD
SCHEMBL14689821 0.83 ALDH1A1 (0.38) SLC7A5BHMTGABRPGABRDGABRA1
SCHEMBL24261803 0.83 BHMT (0.40) SLC7A5BHMTTDP1GABRPGABRD
SCHEMBL5319867 0.83 SLC7A5 (0.50) SLC7A5BHMTKMT2ASLC1A3SLC1A2
SCHEMBL5319869 0.83 SLC7A5 (0.50) SLC7A5BHMTKMT2ASLC1A3SLC1A2
SCHEMBL10824295 0.83 SLC7A5 (0.50) SLC7A5BHMTKMT2ASLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140272066-A1 GLUTAMIC ACID DERIVATIVES GIVAUDAN SA (CH) 2014-09-18 US disclosed
US-20140272066-A1 GLUTAMIC ACID DERIVATIVES GIVAUDAN SA (CH) 2014-09-18 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 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 (2 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-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS SLC7A5 1848/4885BHMT 3844/4885TDP1 2627/4885
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS SLC7A5 3966/4885BHMT 2941/4885TDP1 2851/4885

“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.