SCHEMBL31754312

SCHEMBL31754312

CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
EPHX1 P07099 1/20 0.39
TBXAS1 P24557 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CYP3A4 P08684 1/20 0.38
FABP5 Q01469 2/20 0.37
KCNA5 P22460 1/20 0.37
FABP7 O15540 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CHRM1 P11229 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
KMT2A Q03164 3/20 0.36
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL21837839 1.00 LMNA (0.41) LMNAEPHX1TBXAS1ITGB3ITGA2B
SCHEMBL21837837 1.00 LMNA (0.41) LMNAEPHX1TBXAS1ITGB3ITGA2B
SCHEMBL30055479 1.00 LMNA (0.41) LMNAEPHX1TBXAS1ITGB3ITGA2B
SCHEMBL29633870 1.00 LMNA (0.41) LMNAEPHX1TBXAS1ITGB3ITGA2B
SCHEMBL31369615 1.00 LMNA (0.41) LMNAEPHX1TBXAS1ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL23501838 0.94 LMNA (0.39) LMNAEPHX1TBXAS1ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL30277750 0.94 LMNA (0.39) LMNAEPHX1TBXAS1ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL23501837 0.94 LMNA (0.39) LMNAEPHX1TBXAS1ITGB3ITGA2B
SCHEMBL25182955 0.90 CHRNA7 (0.39) LMNAEPHX1TBXAS1FABP5KCNA5
SCHEMBL25182953 0.90 CHRNA7 (0.39) LMNAEPHX1TBXAS1FABP5KCNA5

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 LMNA 1586/4885EPHX1 2937/4885TBXAS1 4519/4885

“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.