SCHEMBL90788

SCHEMBL90788

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.37
CYP2C9 P11712 1/20 0.35
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL10175983 1.00 GLO1 (0.37) GLO1CYP2C9CYP2D6CYP2C19NPSR1
SCHEMBL10175985 0.87 GLO1 (0.39) GLO1CYP2C9CYP2D6CYP2C19NPSR1
SCHEMBL14210184 0.82 CYP2D6 (0.34) GLO1CYP2C9CYP2D6CYP2C19NPSR1
SCHEMBL58455 0.81 GLO1 (0.35) GLO1CYP2C9CYP2D6CYP2C19NPSR1
SCHEMBL22692406 0.80 CYP2C9 (0.36) GLO1CYP2C9CYP2D6CYP2C19NPSR1
SCHEMBL14210612 0.80 GLO1 (0.34) GLO1CYP2C9CYP2D6CYP2C19NPSR1
SCHEMBL12203122 0.78 DPP4 (0.35) GLO1CYP2C9CYP2D6CYP2C19
SCHEMBL12203118 0.78 DPP4 (0.35) GLO1CYP2C9CYP2D6CYP2C19
SCHEMBL14233246 0.78 GLO1 (0.33) GLO1CYP2C9CYP2D6CYP2C19
SCHEMBL14211032 0.78 GLO1 (0.33) GLO1CYP2C9CYP2D6CYP2C19

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 9 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-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-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-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

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 GLO1 2768/4885CYP2C9 523/4885CYP2D6 279/4885
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS GLO1 2564/4885CYP2C9 341/4885CYP2D6 242/4885
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS GLO1 2768/4885CYP2C9 523/4885CYP2D6 279/4885
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 GLO1 3786/4885CYP2C9 1900/4885CYP2D6 966/4885

“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.