SCHEMBL31370243

SCHEMBL31370243

N[C@@H](CCc1ccccc1O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
AKR1B1 P15121 1/20 0.50
KIF11 P52732 4/20 0.49
SLC7A5 Q01650 2/20 0.48
PKM P14618 2/20 0.47
ALPI P09923 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
GRIK1 P39086 2/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
GRIK2 Q13002 1/20 0.44
GRIK3 Q13003 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HIF1A Q16665 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 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
Hydrochloric Acid SCHEMBL27633742 0.98 TAAR1 (0.48) TAAR1AKR1B1KIF11SLC7A5PKM
SCHEMBL28133910 0.87 POLB (0.52) TAAR1AKR1B1KIF11SLC7A5GRIK1
SCHEMBL1520030 0.86 KDM4E (0.56) KIF11SLC7A5PKMALPIPTGS1
SCHEMBL31369908 0.82 KYNU (0.49) KIF11SLC7A5PKMALPIPTGS1
SCHEMBL1519953 0.82 KYNU (0.49) KIF11SLC7A5PKMALPIPTGS1
SCHEMBL27254715 0.82 PMP22 (0.44) TAAR1AKR1B1KIF11SLC7A5PKM
SCHEMBL752534 0.81 SLC7A5 (0.60) AKR1B1SLC7A5PKMALPIPTGS1
SCHEMBL1249620 0.81 SLC7A5 (0.60) AKR1B1SLC7A5PKMALPIPTGS1
SCHEMBL13537519 0.81 SLC7A5 (0.60) AKR1B1SLC7A5PKMALPIPTGS1
SCHEMBL29499536 0.81 SLC7A5 (0.60) AKR1B1SLC7A5PKMALPIPTGS1

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 TAAR1 2975/4885AKR1B1 4397/4885KIF11 4317/4885

“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.