SCHEMBL13847985

SCHEMBL13847985

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.53
ADAM17 P78536 6/20 0.36
MMP1 P03956 6/20 0.36
MMP2 P08253 5/20 0.36
MMP3 P08254 4/20 0.36
TNF P01375 1/20 0.36
STAT6 P42226 2/20 0.33
MMP13 P45452 1/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
KCNA5 P22460 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
SCHEMBL57975 1.00 TUBB1 (0.53) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL13847984 0.91 TUBB1 (0.51) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL58512 0.91 TUBB1 (0.51) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL88750 0.87 TUBB1 (0.51) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL13848953 0.85 TUBB1 (0.39) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL12201275 0.85 TUBB1 (0.39) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL58533 0.85 TUBB1 (0.39) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL58864 0.85 TUBB1 (0.53) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL14567982 0.85 TUBB1 (0.53) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL58365 0.84 TUBB1 (0.55) TUBB1ADAM17MMP1MMP2MMP3

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.