SCHEMBL31370539

SCHEMBL31370539

N[C@@H](Cc1ccc2nccn2c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.58
KEAP1 Q14145 1/20 0.56
TYR P14679 5/20 0.51
SLC7A5 Q01650 3/20 0.47
HSD17B10 Q99714 2/20 0.47
PTGS1 P23219 2/20 0.46
PKM P14618 2/20 0.46
ALPI P09923 1/20 0.46
XIAP P98170 1/20 0.46
RET P07949 1/20 0.45
DAO P14920 1/20 0.44
GRB2 P62993 1/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
EGFR P00533 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ALOX15 P16050 1/20 0.44
HTR2A P28223 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
SCHEMBL31688872 0.80 SLC7A5 (0.48) TYRSLC7A5HSD17B10PTGS1PKM
Hydrochloric Acid SCHEMBL31407458 0.79 KEAP1 (0.46) CPB2KEAP1RETDAONAMPT
SCHEMBL19368821 0.75 KEAP1 (0.67) CPB2KEAP1RETDAONAMPT
SCHEMBL15882447 0.74 NAMPT (0.59) KEAP1RETNAMPT
SCHEMBL21643024 0.73 TYR (0.47) TYRSLC7A5HSD17B10PTGS1PKM
SCHEMBL21643023 0.73 TYR (0.47) TYRSLC7A5HSD17B10PTGS1PKM
SCHEMBL2049672 0.73 KEAP1 (0.68) CPB2KEAP1RETDAONAMPT
SCHEMBL10511429 0.73 KEAP1 (0.58) CPB2KEAP1RETDAONAMPT
SCHEMBL15310996 0.72 KEAP1 (0.58) KEAP1NAMPT
SCHEMBL2310526 0.72 SLC7A5 (0.83) TYRSLC7A5HSD17B10PTGS1PKM

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 CPB2 1133/4885KEAP1 2482/4885TYR 2562/4885

“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.