SCHEMBL24574465

SCHEMBL24574465

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N[C@H](CCC(=O)O)C(=O)NCCN1C(=O)CC(SCCC(=O)O)C1=O)C(C)C)C(C)(C)C)C(C)(C)c1cn(C)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.37
▸ FOLH1 Q04609 2/20 0.32

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
SCHEMBL24574469 1.00 TUBB1 (0.37) TUBB1FOLH1
SCHEMBL24575160 0.96 TUBB1 (0.37) TUBB1
SCHEMBL24574806 0.96 TUBB1 (0.37) TUBB1
SCHEMBL24574786 0.94 TUBB1 (0.36) TUBB1FOLH1
SCHEMBL24410035 0.93 TUBB1 (0.35) TUBB1FOLH1
SCHEMBL24410040 0.93 TUBB1 (0.35) TUBB1FOLH1
SCHEMBL24409977 0.93 TUBB1 (0.35) TUBB1FOLH1
SCHEMBL24409975 0.93 TUBB1 (0.35) TUBB1FOLH1
SCHEMBL24574523 0.93 TUBB1 (0.36) TUBB1FOLH1
SCHEMBL24574480 0.92 TUBB1 (0.37) TUBB1

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-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-30 — — 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-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells POU5F1, POU2F1, POU2F2 TUBB1 119/4885FOLH1 471/4885

“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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