SCHEMBL58766

SCHEMBL58766

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)C(C)(Cc1ccc(OC)cc1)NC)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.53
KMT2A Q03164 2/20 0.34
GLA P06280 1/20 0.34
CTSK P43235 1/20 0.33
MMP1 P03956 6/20 0.33
MMP13 P45452 5/20 0.33
MMP9 P14780 4/20 0.33
TACR1 P25103 1/20 0.32
MMP3 P08254 2/20 0.32
MMP2 P08253 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
STAT6 P42226 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
CCR6 P51684 1/20 0.31
HKDC1 Q2TB90 1/20 0.31

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
SCHEMBL58822 0.91 TUBB1 (0.45) TUBB1CTSKALDH1A1STAT6TACR3
SCHEMBL12202681 0.84 TUBB1 (0.43) TUBB1
SCHEMBL58270 0.83 TUBB1 (0.42) TUBB1
SCHEMBL58695 0.82 TUBB1 (0.41) TUBB1
SCHEMBL12201724 0.82 TUBB1 (0.41) TUBB1
SCHEMBL6669516 0.81 TUBB1 (0.79) TUBB1KMT2AGLAMMP1MMP13
SCHEMBL59066 0.81 TUBB1 (0.43) TUBB1
SCHEMBL58825 0.79 TUBB1 (0.53) TUBB1CTSKMMP1MMP9MMP3
SCHEMBL14210203 0.79 TUBB1 (0.42) TUBB1
SCHEMBL58544 0.79 TUBB1 (0.42) TUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD (JP) 2014-10-16 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-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
US-7585976-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2009-09-08 US disclosed
US-7585976-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2009-09-08 US disclosed
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-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-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof EISAI CO., LTD. (JP) 2008-05-08 US disclosed
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof EISAI CO., LTD. (JP) 2008-05-08 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
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
US-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 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 (4 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 1330/4885KMT2A 3692/4885GLA 1256/4885
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS TUBB1 1668/4885KMT2A 3297/4885GLA 1444/4885
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS TUBB1 1330/4885KMT2A 3692/4885GLA 1256/4885
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 1157/4885KMT2A 3889/4885GLA 456/4885

“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.