SCHEMBL13848945

SCHEMBL13848945

CNC(C(=O)N[C@H](C(=O)N(C)[C@H](CN(CC(=O)N(C)C(C)C)C(C)=O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.49
MMP1 P03956 6/20 0.34
ADAM17 P78536 1/20 0.34
MMP2 P08253 10/20 0.33
MMP3 P08254 6/20 0.33
STAT6 P42226 2/20 0.32
BMP1 P13497 1/20 0.32
MMP13 P45452 1/20 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
SCHEMBL58406 1.00 TUBB1 (0.49) TUBB1MMP1ADAM17MMP2MMP3
SCHEMBL57708 0.92 TUBB1 (0.51) TUBB1MMP1ADAM17MMP2MMP3
SCHEMBL13848005 0.92 TUBB1 (0.51) TUBB1MMP1ADAM17MMP2MMP3
SCHEMBL13848002 0.89 TUBB1 (0.53) TUBB1MMP1ADAM17MMP2MMP3
SCHEMBL58061 0.89 TUBB1 (0.53) TUBB1MMP1ADAM17MMP2MMP3
SCHEMBL13682455 0.89 TUBB1 (0.51) TUBB1MMP1ADAM17MMP2MMP3
SCHEMBL13847979 0.87 TUBB1 (0.55) TUBB1MMP1ADAM17MMP2MMP3
SCHEMBL58456 0.87 TUBB1 (0.55) TUBB1MMP1ADAM17MMP2MMP3
SCHEMBL14567985 0.83 TUBB1 (0.51) TUBB1MMP1ADAM17MMP2MMP3
SCHEMBL58742 0.83 TUBB1 (0.51) TUBB1MMP1ADAM17MMP2MMP3

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 1157/4885MMP1 2454/4885ADAM17 641/4885

“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.