SCHEMBL31754323

SCHEMBL31754323

COC(=O)Cc1cccc(CC(N)C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 9/20 1.00
NOS3 P29474 3/20 0.56
NOS1 P29475 3/20 0.56
NOS2 P35228 3/20 0.56
PTGS1 P23219 2/20 0.56
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
XIAP P98170 1/20 0.56
GRIA2 P42262 1/20 0.54
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
EGFR P00533 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ALOX15 P16050 1/20 0.49
HTR2A P28223 1/20 0.49
PTGS2 P35354 1/20 0.49
RECQL P46063 1/20 0.49
HIF1A Q16665 1/20 0.49

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
Dl-Phenylalanine SCHEMBL6040139 0.88 SLC7A5 (0.78) SLC7A5NOS3NOS1NOS2PTGS1
Phenylalanine SCHEMBL6040140 0.88 SLC7A5 (0.78) SLC7A5NOS3NOS1NOS2PTGS1
SCHEMBL4613338 0.86 SLC7A5 (0.76) SLC7A5HTR2AALDH1A1GAAGFER
SCHEMBL732469 0.86 SLC7A5 (0.76) SLC7A5HTR2AALDH1A1GAAGFER
SCHEMBL693509 0.86 SLC7A5 (0.76) SLC7A5HTR2AALDH1A1GAAGFER
SCHEMBL29902269 0.86 SLC7A5 (0.75) SLC7A5NOS3NOS1NOS2PTGS1
Hydrochloric Acid SCHEMBL4863108 0.85 SLC7A5 (0.74) SLC7A5HTR2AALDH1A1GAAGFER
SCHEMBL26008303 0.84 SLC7A5 (0.73) SLC7A5NOS3NOS1NOS2PTGS1
SCHEMBL2314258 0.84 SLC7A5 (0.77) SLC7A5NOS3NOS1NOS2PTGS1
SCHEMBL25358254 0.83 SLC7A5 (0.70) SLC7A5NOS3NOS1NOS2PTGS1

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 SLC7A5 308/4885NOS3 4323/4885NOS1 4588/4885

“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.