SCHEMBL31370517

SCHEMBL31370517

Cn1c(C[C@H](N)C(=O)O)cccc1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 5/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
TYR P14679 5/20 0.45
SLC1A3 P43003 1/20 0.43
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
GRIA2 P42262 2/20 0.41
GRIA1 P42261 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 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
SCHEMBL8001504 0.77 SLC7A5 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL8001508 0.77 SLC7A5 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL31445978 0.74 PTGS2 (0.46) PTGS1ALDH1A1MAPT
SCHEMBL12641728 0.71 BRPF1 (0.36) ALDH1A1CYP1A2
SCHEMBL23273584 0.71 IDH1 (0.40) TYRALDH1A1CYP1A2
SCHEMBL21994638 0.71 CA2 (0.37) SLC7A5ALDH1A1
SCHEMBL21994639 0.71 CA2 (0.37) SLC7A5ALDH1A1
SCHEMBL11035167 0.71 MCL1 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL17791881 0.69 SLC1A3 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL23662620 0.68 IDH1 (0.41) ALDH1A1

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 SLC7A5 66/4885ALPI 4682/4885PKM 3898/4885

“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.