SCHEMBL13848318

SCHEMBL13848318

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

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.61
MMP2 P08253 12/20 0.34
MMP3 P08254 10/20 0.34
MMP1 P03956 4/20 0.33
ADAM17 P78536 2/20 0.33
TNF P01375 1/20 0.33
STAT6 P42226 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
SCHEMBL58029 1.00 TUBB1 (0.61) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL58793 0.92 TUBB1 (0.60) TUBB1MMP2MMP3MMP1
SCHEMBL13682035 0.92 TUBB1 (0.60) TUBB1MMP2MMP3MMP1
SCHEMBL6670635 0.91 TUBB1 (0.58) TUBB1MMP2MMP3
SCHEMBL6670504 0.90 TUBB1 (0.62) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL6674531 0.90 TUBB1 (0.60) TUBB1MMP2MMP3MMP1
SCHEMBL6674523 0.90 TUBB1 (0.60) TUBB1MMP2MMP3MMP1
SCHEMBL89154 0.90 TUBB1 (0.53) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL58323 0.90 TUBB1 (0.53) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL14568138 0.90 TUBB1 (0.53) TUBB1MMP2MMP3MMP1ADAM17

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 1157/4885MMP2 1161/4885MMP3 2344/4885

“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.