SCHEMBL25179567

SCHEMBL25179567

CNC(CC(=O)N(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ FOLH1 Q04609 2/20 0.32
▸ NAALAD2 Q9Y3Q0 2/20 0.32
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ TGFBR1 P36897 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL25179566 1.00 KDM4E (0.33) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL25657475 0.79 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1CHRNB2CHRNA4KMT2A
SCHEMBL21837505 0.79 CHRNB2 (0.41) ALDH1A1FOLH1NAALAD2CHRNB2CHRNB4
SCHEMBL21837502 0.79 CHRNB2 (0.41) ALDH1A1FOLH1NAALAD2CHRNB2CHRNB4
N-Methyl-D-Aspartic Acid (Nmda) SCHEMBL18528187 0.77 CA2 (0.45) KDM4EMAPTTHRBALOX15NFKB1
N-Methyl-D-Aspartic Acid (Nmda) SCHEMBL167682 0.77 CA2 (0.45) KDM4EMAPTTHRBALOX15NFKB1
N-Methyl-D-Aspartic Acid (Nmda) SCHEMBL163692 0.77 CA2 (0.45) KDM4EMAPTTHRBALOX15NFKB1
N-Methyl-D-Aspartic Acid (Nmda) SCHEMBL19741548 0.77 CA2 (0.45) KDM4EMAPTTHRBALOX15NFKB1
N-Methyl-D-Aspartic Acid (Nmda) SCHEMBL2220 0.77 CA2 (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL25355433 0.76 CHRNB2 (0.52) ALDH1A1FOLH1NAALAD2CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4316503-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-07 — — EP disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 — — US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 — — 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS KDM4E 4374/4885MAPT 4527/4885THRB 2526/4885

“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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