SCHEMBL14273012

SCHEMBL14273012

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@H]1C)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.60
▸ BIRC2 Q13490 5/20 0.34
▸ XIAP P98170 2/20 0.34
▸ BIRC3 Q13489 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ STAT6 P42226 6/20 0.33
▸ CASP9 P55211 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ DPP4 P27487 2/20 0.31
▸ STAT5A P42229 1/20 0.31
▸ STAT5B P51692 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ LMNA P02545 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
SCHEMBL58688 0.91 TUBB1 (0.59) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL4368595 0.91 TUBB1 (0.59) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL13850283 0.91 TUBB1 (0.61) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL14185880 0.90 TUBB1 (0.58) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL57417 0.90 TUBB1 (0.58) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL88381 0.90 TUBB1 (0.58) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL57912 0.89 TUBB1 (0.61) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL58756 0.89 TUBB1 (0.61) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL57941 0.89 TUBB1 (0.61) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL4366593 0.89 TUBB1 (0.61) TUBB1BIRC2XIAPBIRC3STAT6

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-20080051434-A1 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells EISAI CO., LTD. (JP) 2008-02-28 — — 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-20080051434-A1 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells DHCR7, CYP46A1, NR1H2 TUBB1 1157/4885BIRC2 1401/4885XIAP 448/4885

“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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