SCHEMBL31754344

SCHEMBL31754344

N#Cc1ncc(CC(N)C(=O)O)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
SLC7A5 Q01650 4/20 0.49
PTGS1 P23219 2/20 0.49
PKM P14618 2/20 0.49
ALPI P09923 1/20 0.49
XIAP P98170 1/20 0.49
TPH1 P17752 2/20 0.44
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ALOX15 P16050 1/20 0.42
HTR2A P28223 1/20 0.42
PTGS2 P35354 1/20 0.42
RECQL P46063 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL25657792 0.80 HSD17B10 (0.53) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL2263843 0.79 SLC7A5 (0.55) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL28759077 0.79 SLC7A5 (0.55) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL15314365 0.79 SLC7A5 (0.55) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL31000724 0.77 SLC7A5 (0.53) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL21643035 0.75 HSD17B10 (0.39) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL21643037 0.75 HSD17B10 (0.39) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL31370308 0.73 HSD17B10 (0.49) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL31754300 0.73 HSD17B10 (0.49) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL13585683 0.73 SLC7A5 (0.57) HSD17B10SLC7A5PTGS1PKMALPI

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS HSD17B10 4549/4885SLC7A5 308/4885PTGS1 3843/4885

“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.