SCHEMBL14580892

SCHEMBL14580892

N[C@@H](COCc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.54
MME P08473 5/20 0.48
ACE P12821 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
ECE1 P42892 1/20 0.48
BLM P54132 1/20 0.48
NPEPPS P55786 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TACR1 P25103 2/20 0.45
FOLH1 Q04609 1/20 0.45
LTA4H P09960 2/20 0.44

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
SCHEMBL13165228 1.00 SLC1A1 (0.54) SLC1A1MMEACEALDH1A1HPGD
SCHEMBL17426 0.87 SLC1A1 (0.50) SLC1A1HTTSMN1; SMN2TACR1
SCHEMBL9990986 0.87 SLC1A1 (0.50) SLC1A1HTTSMN1; SMN2TACR1
SCHEMBL1576805 0.87 SLC1A1 (0.55) SLC1A1KMT2AHTTSMN1; SMN2TACR1
SCHEMBL3586820 0.84 SLC1A1 (0.52) SLC1A1HTTSMN1; SMN2TACR1LTA4H
Trifluoroacetic Acid SCHEMBL3584694 0.83 F2 (0.47) SLC1A1TACR1
Trifluoroacetic Acid SCHEMBL25141 0.82 SLC1A1 (0.45) SLC1A1
SCHEMBL27232206 0.82 SLC1A1 (0.56) SLC1A1MMEHTTSMN1; SMN2TACR1
SCHEMBL27228895 0.82 SLC1A1 (0.56) SLC1A1MMEHTTSMN1; SMN2TACR1
SCHEMBL3585658 0.81 SLC1A1 (0.49) SLC1A1MEN1KMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070048752-A1 Mass tags for quantitative analyses APPLERA CORPORATION (US) 2007-03-01 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 (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-20070048752-A1 Mass tags for quantitative analyses SRMS, PTMS, TMT1A SLC1A1 2386/4885MME 200/4885ACE 2107/4885

“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.