SCHEMBL58086

SCHEMBL58086

CC(C)[C@@H](C=O)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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.46
STAT6 P42226 2/20 0.34
MMP13 P45452 1/20 0.34
MMP2 P08253 5/20 0.31
MMP1 P03956 2/20 0.31
ADAM17 P78536 2/20 0.31
TNF P01375 1/20 0.31
MMP3 P08254 1/20 0.31
CTSS P25774 5/20 0.31
CTSK P43235 3/20 0.31
REN P00797 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 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
SCHEMBL60130 1.00 TUBB1 (0.46) TUBB1STAT6MMP13MMP2MMP1
SCHEMBL12201274 1.00 TUBB1 (0.46) TUBB1STAT6MMP13MMP2MMP1
SCHEMBL14568448 0.91 TUBB1 (0.45) TUBB1STAT6MMP13MMP2MMP1
SCHEMBL14210177 0.90 TUBB1 (0.36) TUBB1MMP13CTSSCTSKREN
SCHEMBL14210208 0.90 TUBB1 (0.49) TUBB1STAT6MMP13
SCHEMBL58571 0.90 TUBB1 (0.49) TUBB1STAT6MMP13
SCHEMBL12202612 0.90 TUBB1 (0.49) TUBB1STAT6MMP13
SCHEMBL13682586 0.89 TUBB1 (0.60) TUBB1STAT6MMP13CTSSAAK1
SCHEMBL57529 0.89 TUBB1 (0.60) TUBB1STAT6MMP13CTSSAAK1
SCHEMBL14210172 0.89 TUBB1 (0.54) TUBB1STAT6MMP13CTSSAAK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129407-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI INC. (US) 2012-03-06 US disclosed
US-8129407-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI INC. (US) 2012-03-06 US disclosed
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2010-03-11 US disclosed
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2010-03-11 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-20100063095-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.