SCHEMBL58455

SCHEMBL58455

BC(=O)N(C)[C@H](/C=C(\C)C(=O)OCC)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.35
CYP2C9 P11712 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL10175985 0.84 GLO1 (0.39) GLO1CYP2C9CYP2D6CYP2C19NPSR1
SCHEMBL14210612 0.84 GLO1 (0.34) GLO1CYP2C9CYP2D6CYP2C19NPSR1
SCHEMBL90788 0.81 GLO1 (0.37) GLO1CYP2C9CYP2D6CYP2C19NPSR1
SCHEMBL10175983 0.81 GLO1 (0.37) GLO1CYP2C9CYP2D6CYP2C19NPSR1
SCHEMBL14210216 0.81 TUBB1 (0.34) GLO1CYP2C9CYP2D6CYP2C19
SCHEMBL58103 0.81 DPP4 (0.35) GLO1CYP2C9CYP2D6CYP2C19
SCHEMBL16169554 0.81 TUBB1 (0.34) GLO1CYP2C9CYP2D6CYP2C19
SCHEMBL12203122 0.81 DPP4 (0.35) GLO1CYP2C9CYP2D6CYP2C19
SCHEMBL12203118 0.81 DPP4 (0.35) GLO1CYP2C9CYP2D6CYP2C19
SCHEMBL90441 0.81 DPP4 (0.35) 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 11 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-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 US disclosed
US-7410951-B2 Biologically active peptides and compositions, their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-08-12 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS RB1, MRPL9, BCOR GLO1 3449/4885CYP2C9 1243/4885CYP2D6 1863/4885
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS GLO1 2564/4885CYP2C9 341/4885CYP2D6 242/4885
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.