SCHEMBL31369460

SCHEMBL31369460

N[C@@H](Cc1ccc(N2CCS(=O)(=O)CC2)nc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 4/20 0.53
HSD17B10 Q99714 2/20 0.45
SLC7A5 Q01650 3/20 0.42
LMNA P02545 1/20 0.42
AOC3 Q16853 5/20 0.41
PTGS1 P23219 2/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
XIAP P98170 1/20 0.41
TYR P14679 5/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
EGFR P00533 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ALOX15 P16050 1/20 0.40
HTR2A P28223 1/20 0.40
PTGS2 P35354 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL31370121 0.86 HSD17B10 (0.46) HSD17B10SLC7A5AOC3PTGS1ALPI
SCHEMBL31688612 0.86 AOC3 (0.54) HSD17B10SLC7A5LMNAAOC3PTGS1
SCHEMBL34468285 0.84 HSD17B10 (0.46) HSD17B10SLC7A5AOC3PTGS1ALPI
SCHEMBL31370373 0.84 HSD17B10 (0.46) HSD17B10SLC7A5AOC3PTGS1ALPI
SCHEMBL31370169 0.84 AOC3 (0.56) HSD17B10SLC7A5LMNAAOC3KDM4E
SCHEMBL26966436 0.82 AOC3 (0.58) WNT3AHSD17B10SLC7A5AOC3AKT1
SCHEMBL26966077 0.82 AOC3 (0.58) WNT3AHSD17B10SLC7A5AOC3AKT1
SCHEMBL14802424 0.81 WNT3A (0.52) WNT3AAOC3
SCHEMBL23683824 0.80 WNT3A (0.64) WNT3AAOC3KDM4E
SCHEMBL31369665 0.80 RORC (0.48) HSD17B10SLC7A5LMNAAOC3KDM4E

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 WNT3A 2873/4885HSD17B10 3828/4885SLC7A5 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.