SCHEMBL57624

SCHEMBL57624

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)C1CCCCN1C(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
TUBB1 Q9H4B7 2/20 0.43
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
FKBP1A P62942 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL13681963 1.00 KMT2A (0.43) KMT2AMEN1TUBB1POLBLMNA
SCHEMBL17734005 0.92 TUBB1 (0.46) KMT2AMEN1TUBB1FKBP1A
SCHEMBL13681991 0.92 TUBB1 (0.46) KMT2AMEN1TUBB1FKBP1A
SCHEMBL58625 0.92 TUBB1 (0.46) KMT2AMEN1TUBB1FKBP1A
SCHEMBL88749 0.92 TUBB1 (0.46) KMT2AMEN1TUBB1FKBP1A
SCHEMBL22283984 0.91 TUBB1 (0.47) KMT2AMEN1TUBB1FKBP1A
SCHEMBL22283983 0.91 TUBB1 (0.47) KMT2AMEN1TUBB1FKBP1A
SCHEMBL22069909 0.91 TUBB1 (0.47) KMT2AMEN1TUBB1FKBP1A
SCHEMBL28381670 0.91 TUBB1 (0.47) KMT2AMEN1TUBB1FKBP1A
SCHEMBL28380575 0.91 TUBB1 (0.47) KMT2AMEN1TUBB1FKBP1A

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-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2010-03-11 US disclosed
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof EISAI CO., LTD. (JP) 2008-05-08 US disclosed
US-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 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 (2 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 KMT2A 3692/4885MEN1 251/4885TUBB1 1330/4885
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS KMT2A 3297/4885MEN1 274/4885TUBB1 1668/4885

“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.