SCHEMBL31369744

SCHEMBL31369744

N[C@@H](CCC(=O)Nc1ccc(F)cc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.73
FOLH1 Q04609 1/20 0.53
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
ATM Q13315 1/20 0.52
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL24032787 0.86 LTA4H (0.75) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL3503717 0.86 LTA4H (0.75) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL3503714 0.86 LTA4H (0.75) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL29398310 0.86 LTA4H (0.75) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL3192017 0.86 LTA4H (0.75) LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL2522620 0.85 LTA4H (0.91) LTA4HSLC1A3SLC1A2SLC1A1MAPT
SCHEMBL176813 0.85 LTA4H (0.91) LTA4HSLC1A3SLC1A2SLC1A1MAPT
SCHEMBL26153209 0.85 GAA (0.57) LTA4HSLC1A3SLC1A2SLC1A1MAPT
SCHEMBL30442012 0.85 GAA (0.57) LTA4HSLC1A3SLC1A2SLC1A1MAPT
SCHEMBL11336055 0.84 LTA4H (0.73) LTA4HSLC1A3SLC1A2SLC1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 LTA4H 4516/4885FOLH1 1381/4885HDAC3 4022/4885

“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.