SCHEMBL31370577

SCHEMBL31370577

N[C@@H](Cc1ccc(-c2ccc3c(c2)OCC3)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.47
PTGS1 P23219 2/20 0.45
PKM P14618 2/20 0.45
ALPI P09923 1/20 0.45
XIAP P98170 1/20 0.45
TPH1 P17752 7/20 0.44
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
EGFR P00533 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ALOX15 P16050 1/20 0.43
HTR2A P28223 1/20 0.43
PTGS2 P35354 1/20 0.43
RECQL P46063 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRIA2 P42262 1/20 0.42

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
SCHEMBL31369437 0.90 FFAR1 (0.51) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL31369822 0.85 SLC7A5 (0.50) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL156189 0.77 SLC7A5 (0.74) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL837014 0.77 SLC7A5 (0.74) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL2242305 0.75 PRKAB2 (0.50) KDM4EHSD17B10FFAR1PRKAB2PRKAG1
SCHEMBL1744966 0.74 SLC7A5 (0.55) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL3788967 0.74 SLC7A5 (0.55) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL31370034 0.73 CTSC (0.51) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL30476553 0.73 SLC7A5 (0.68) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL180285 0.73 SLC7A5 (0.68) SLC7A5PTGS1PKMALPIXIAP

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 66/4885PTGS1 4090/4885PKM 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.