SCHEMBL13848967

SCHEMBL13848967

CCOC(=O)COC/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)C(NC)C(C)(C)c1ccccc1)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.57
POLB P06746 1/20 0.33
MMP1 P03956 2/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
STAT6 P42226 2/20 0.32
ADAM17 P78536 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL88728 1.00 TUBB1 (0.57) TUBB1POLBMMP1MMP3MMP9
SCHEMBL57419 1.00 TUBB1 (0.57) TUBB1POLBMMP1MMP3MMP9
SCHEMBL88648 1.00 TUBB1 (0.57) TUBB1POLBMMP1MMP3MMP9
SCHEMBL14233245 0.92 TUBB1 (0.62) TUBB1MMP1MMP3MMP9MMP8
SCHEMBL57221 0.91 TUBB1 (0.62) TUBB1MMP1MMP3MMP9MMP8
SCHEMBL89243 0.91 TUBB1 (0.62) TUBB1MMP1MMP3MMP9MMP8
SCHEMBL13682604 0.91 TUBB1 (0.62) TUBB1MMP1MMP3MMP9MMP8
SCHEMBL13848969 0.91 TUBB1 (0.62) TUBB1MMP1MMP3MMP9MMP8
SCHEMBL88936 0.87 TUBB1 (0.60) TUBB1MMP1MMP3MMP9MMP8
SCHEMBL14233799 0.87 TUBB1 (0.60) TUBB1MMP1MMP3MMP9MMP8

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 2 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

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 1157/4885POLB 2884/4885MMP1 2454/4885

“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.