SCHEMBL57879

SCHEMBL57879

CN[C@@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C)/C=C(\C)C(=O)O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADAM17 P78536 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36

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
SCHEMBL13681885 0.86 TUBB1 (0.42) MMP9MMP8KDM4EHPGDHSD17B10
SCHEMBL13682573 0.86 TUBB1 (0.42) MMP9MMP8KDM4EHPGDHSD17B10
SCHEMBL14567811 0.86 TUBB1 (0.42) MMP9MMP8KDM4EHPGDHSD17B10
SCHEMBL15429694 0.86 TUBB1 (0.42) MMP9MMP8KDM4EHPGDHSD17B10
SCHEMBL10177199 0.86 TUBB1 (0.51) MMP9MMP8KDM4EHPGDHSD17B10
SCHEMBL14567798 0.86 TUBB1 (0.51) MMP9MMP8KDM4EHPGDHSD17B10
SCHEMBL57330 0.86 TUBB1 (0.51) MMP9MMP8KDM4EHPGDHSD17B10
SCHEMBL57593 0.84 MMP9 (0.48) MMP9MMP8KDM4EHPGDHSD17B10
SCHEMBL58279 0.82 MMP9 (0.40) MMP9MMP8KDM4EHPGDHSD17B10
SCHEMBL13203830 0.79 MMP9 (0.42) MMP9MMP8KDM4EHPGDHSD17B10

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 MMP9 4139/4885MMP8 4032/4885KDM4E 3077/4885

“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.