SCHEMBL13848759

SCHEMBL13848759

C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)C1CCCCN1C(C)C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.49
▸ ACE P12821 6/20 0.33
▸ REN P00797 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PEPD P12955 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ACE2 Q9BYF1 1/20 0.33
▸ ELANE P08246 1/20 0.33

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
SCHEMBL59647 1.00 TUBB1 (0.49) TUBB1ACERENKDM4EF2
SCHEMBL58236 0.94 TUBB1 (0.49) TUBB1ELANE
SCHEMBL13682334 0.94 TUBB1 (0.49) TUBB1ELANE
SCHEMBL15429992 0.94 TUBB1 (0.49) TUBB1ELANE
SCHEMBL17734023 0.92 TUBB1 (0.48) TUBB1ELANE
SCHEMBL13682394 0.92 TUBB1 (0.46) TUBB1ELANE
SCHEMBL59631 0.92 TUBB1 (0.46) TUBB1ELANE
SCHEMBL13682368 0.92 TUBB1 (0.48) TUBB1ELANE
SCHEMBL58314 0.92 TUBB1 (0.48) TUBB1ELANE
SCHEMBL13682398 0.91 TUBB1 (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528152-B2 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) 2009-05-05 — — US disclosed
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
US-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 — — 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 1157/4885ACE 2279/4885REN 114/4885

“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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