SCHEMBL14210210

SCHEMBL14210210

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.48
STAT6 P42226 2/20 0.33
MMP13 P45452 1/20 0.33
BTN3A1 O00481 2/20 0.33
REN P00797 1/20 0.32
CTSS P25774 5/20 0.31
CTSK P43235 3/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
MMP1 P03956 4/20 0.31
MMP3 P08254 3/20 0.31
ADAM17 P78536 3/20 0.31
MMP2 P08253 2/20 0.31
TNF P01375 1/20 0.31
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
TRPA1 O75762 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
SCHEMBL58237 1.00 TUBB1 (0.48) TUBB1STAT6MMP13BTN3A1REN
SCHEMBL14567902 0.93 TUBB1 (0.48) TUBB1STAT6MMP13CTSSMMP1
SCHEMBL14210168 0.89 TUBB1 (0.60) TUBB1STAT6MMP13CTSS
SCHEMBL57606 0.89 TUBB1 (0.54) TUBB1STAT6MMP13CTSS
SCHEMBL57529 0.89 TUBB1 (0.60) TUBB1STAT6MMP13CTSS
SCHEMBL14210172 0.89 TUBB1 (0.54) TUBB1STAT6MMP13CTSS
SCHEMBL13682586 0.89 TUBB1 (0.60) TUBB1STAT6MMP13CTSS
SCHEMBL90338 0.89 TUBB1 (0.50) TUBB1STAT6MMP1MMP3ADAM17
SCHEMBL12202612 0.89 TUBB1 (0.49) TUBB1STAT6MMP13
SCHEMBL14210208 0.89 TUBB1 (0.49) TUBB1STAT6MMP13

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-8633224-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI CO., LTD. (JP) 2014-01-21 US disclosed
US-8633224-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI CO., LTD. (JP) 2014-01-21 US disclosed
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2012-12-06 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-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS TUBB1 1330/4885STAT6 4739/4885MMP13 4582/4885

“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.