SCHEMBL31369908

SCHEMBL31369908

Nc1ccccc1CC[C@H](N)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 2/20 0.49
KIF11 P52732 4/20 0.49
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 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
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
LTA4H P09960 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 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
SCHEMBL1519953 1.00 KYNU (0.49) KYNUKIF11ALPIPKMPTGS1
SCHEMBL7038034 0.85 MMP2 (0.43) KYNUKIF11ALPIPKMPTGS1
SCHEMBL31370243 0.82 TAAR1 (0.50) KIF11ALPIPKMPTGS1XIAP
SCHEMBL29701247 0.81 SLC7A5 (0.60) KYNUALPIPKMPTGS1XIAP
SCHEMBL288832 0.81 SLC7A5 (0.60) KYNUALPIPKMPTGS1XIAP
SCHEMBL288377 0.81 SLC7A5 (0.60) KYNUALPIPKMPTGS1XIAP
SCHEMBL385780 0.81 SLC7A5 (0.60) KYNUALPIPKMPTGS1XIAP
Homophenylalanine SCHEMBL44311 0.81 ALPI (0.64) KIF11ALPIPKMPTGS1XIAP
Homophenylalanine SCHEMBL1078733 0.81 ALPI (0.64) KIF11ALPIPKMPTGS1XIAP
Homophenylalanine SCHEMBL130567 0.81 ALPI (0.64) KIF11ALPIPKMPTGS1XIAP

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 KYNU 2106/4885KIF11 4317/4885ALPI 4682/4885

“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.