SCHEMBL24574688

SCHEMBL24574688

CN[C@H](C(=O)NC(C(=O)N(C)[C@H](/C=C(\C)C(=O)NCCCCCN)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.59
▸ CHRNA1 P02708 2/20 0.32
▸ CHRNG P07510 2/20 0.32
▸ CHRNB1 P11230 2/20 0.32
▸ CHRND Q07001 2/20 0.32
▸ TLR2 O60603 1/20 0.31
▸ MMP2 P08253 9/20 0.31
▸ MMP3 P08254 5/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ ADAM17 P78536 2/20 0.30
▸ CPB1 P15086 1/20 0.30
▸ CPB2 Q96IY4 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
SCHEMBL22309062 0.91 TUBB1 (0.57) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL20732182 0.91 TUBB1 (0.57) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL6801949 0.88 TUBB1 (0.62) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL6802822 0.87 TUBB1 (0.61) TUBB1MMP1ADAM17
SCHEMBL6802182 0.87 TUBB1 (0.64) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL58638 0.86 TUBB1 (0.63) TUBB1MMP2MMP3ADAM17
SCHEMBL4369885 0.85 TUBB1 (0.67) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL4369892 0.85 TUBB1 (0.67) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL57908 0.85 TUBB1 (0.69) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL6675641 0.85 TUBB1 (0.69) TUBB1MMP2MMP3MMP1MMP9

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 119/4885CHRNA1 682/4885CHRNG 863/4885

“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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