SCHEMBL31754339

SCHEMBL31754339

CNC(CCCN(C)C(C)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ FOLH1 Q04609 5/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GNPAT O15228 1/20 0.32
▸ NOD1 Q9Y239 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ TGFBR1 P36897 1/20 0.30

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
SCHEMBL26399370 1.00 NOS3 (0.40) NOS3NOS1NOS2FOLH1KDM4E
SCHEMBL25358064 0.95 FOLH1 (0.38) NOS3NOS1NOS2FOLH1KDM4E
SCHEMBL25358066 0.95 FOLH1 (0.38) NOS3NOS1NOS2FOLH1KDM4E
SCHEMBL20204395 0.82 FOLH1 (0.33) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL7367475 0.81 NOS3 (0.64) NOS3NOS1NOS2FOLH1GNPAT
SCHEMBL1002981 0.81 NOS3 (0.64) NOS3NOS1NOS2FOLH1GNPAT
SCHEMBL20732425 0.78 KDM4A (0.40) FOLH1ALDH1A1
SCHEMBL805213 0.78 KDM4A (0.40) FOLH1ALDH1A1
SCHEMBL20204396 0.77 FOLH1 (0.31) FOLH1
SCHEMBL1082586 0.76 NOD1 (0.43) FOLH1KDM4EMAPTTHRBALOX15

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 NOS3 4323/4885NOS1 4588/4885NOS2 4788/4885

“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.

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