SCHEMBL31369930

SCHEMBL31369930

COc1cc(-c2ccc(C[C@H](N)C(=O)O)cc2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.54
TPH1 P17752 12/20 0.49
SLC7A5 Q01650 2/20 0.47
ACACB O00763 1/20 0.46
CTSC P53634 1/20 0.46
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
FEN1 P39748 1/20 0.45
FFAR1 O14842 1/20 0.44
TPH2 Q8IWU9 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
SCHEMBL3627309 0.89 SLC13A5 (0.50) SLC13A5ACACBCTSCFEN1FFAR1
SCHEMBL3627307 0.89 SLC13A5 (0.50) SLC13A5ACACBCTSCFEN1FFAR1
SCHEMBL31688626 0.88 GRIA2 (0.59) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL539411 0.88 SLC13A5 (0.49) SLC13A5ACACBCTSCFEN1FFAR1
SCHEMBL25357821 0.85 LOX (0.55) SLC7A5ACACBALPIPKMPTGS1
SCHEMBL31747001 0.85 LOX (0.55) SLC7A5ACACBALPIPKMPTGS1
SCHEMBL14861107 0.85 LOX (0.55) SLC7A5ACACBALPIPKMPTGS1
SCHEMBL12001654 0.80 ACACB (0.70) SLC13A5ACACB
SCHEMBL2005412 0.79 TPH1 (0.69) TPH1SLC7A5ALPIPKMPTGS1
SCHEMBL31369944 0.79 TPH1 (0.54) TPH1SLC7A5TPH2

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 SLC13A5 1155/4885TPH1 3558/4885SLC7A5 66/4885

“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.