SCHEMBL13847979

SCHEMBL13847979

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.55
ADAM17 P78536 6/20 0.36
MMP1 P03956 5/20 0.36
STAT6 P42226 2/20 0.35
MMP2 P08253 8/20 0.35
MMP3 P08254 5/20 0.35
TNF P01375 1/20 0.35

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
SCHEMBL58456 1.00 TUBB1 (0.55) TUBB1ADAM17MMP1STAT6MMP2
SCHEMBL13682455 0.90 TUBB1 (0.51) TUBB1ADAM17MMP1STAT6MMP2
SCHEMBL57708 0.89 TUBB1 (0.51) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL13848005 0.89 TUBB1 (0.51) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL58006 0.89 TUBB1 (0.53) TUBB1ADAM17MMP1STAT6MMP2
SCHEMBL58365 0.88 TUBB1 (0.55) TUBB1ADAM17MMP1STAT6MMP2
SCHEMBL58742 0.88 TUBB1 (0.51) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL14567985 0.88 TUBB1 (0.51) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL14186790 0.88 TUBB1 (0.51) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL88686 0.87 TUBB1 (0.50) TUBB1ADAM17MMP1STAT6MMP2

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 1157/4885ADAM17 641/4885MMP1 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.