SCHEMBL31369520

SCHEMBL31369520

N[C@@H](Cc1ccc(-c2ccccc2)cn1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
TPH1 P17752 4/20 0.49
CYP1A2 P05177 1/20 0.49
KIF11 P52732 2/20 0.48
DNMT1 P26358 1/20 0.48
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
SLC1A5 Q15758 1/20 0.47
GRIA2 P42262 1/20 0.46
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL27489744 0.81 RXRA (0.46)
SCHEMBL3890652 0.80 SLC7A5 (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL20274857 0.80 TPH1 (0.60) TPH1CYP1A2
SCHEMBL15360000 0.79 CYP1A2 (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7205029 0.79 SLC7A5 (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5283089 0.79 SLC7A5 (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL29215396 0.78 CYP1A2 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL13957329 0.78 CYP1A2 (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL12128833 0.78 CYP1A2 (0.47) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL20422675 0.78 SLC7A5 (0.54) ALPIPKMPTGS1XIAPSLC7A5

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 ALPI 4682/4885PKM 3898/4885PTGS1 4090/4885

“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.