SCHEMBL52415

SCHEMBL52415

CC(C)[C@@H](C=O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.33
HDAC6 Q9UBN7 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
AAK1 Q2M2I8 2/20 0.32
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL52414 1.00 CTSK (0.33) CTSKHDAC6CA1CA2CA7
SCHEMBL5657578 0.83 CTSK (0.34) CTSKHDAC6AAK1HDAC1HDAC2
SCHEMBL23279584 0.83 CTSK (0.31) CTSK
SCHEMBL5657583 0.83 CTSK (0.34) CTSKHDAC6AAK1HDAC1HDAC2
SCHEMBL13489790 0.82 AAK1 (0.30) HDAC6CA1CA2CA7AAK1
SCHEMBL5559416 0.81 CTSK (0.34) CTSKHDAC6CA1CA2CA7
SCHEMBL4299159 0.81 CTSK (0.34) CTSKHDAC6CA1CA2CA7
SCHEMBL8274243 0.81 CTSK (0.34) CTSKHDAC6CA1CA2CA7
SCHEMBL14567869 0.80
SCHEMBL57627 0.80 TUBB1 (0.33) AAK1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374454-B1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI R&D MAN CO LTD (JP) 2016-05-11 EP disclosed
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD (JP) 2014-10-16 US disclosed
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD (JP) 2014-10-16 US disclosed
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-8633224-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI CO., LTD. (JP) 2014-01-21 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-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2012-12-06 US disclosed
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2012-12-06 US disclosed
US-8129407-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI INC. (US) 2012-03-06 US disclosed
US-7064211-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2006-06-20 US disclosed
WO-2005118525-A1 SYNTHESIS OF AMINO-ALKOXY-HEPTANOIC ALKYL ESTER F.HOFFMANN-LA ROCHE AG (CH) 2005-12-15 WO disclosed
US-20050272665-A1 Synthesis of alpha-amino-beta-alkoxy-carboxylic acid esters F. HOFFMANN-LA ROCHE AG (CH) 2005-12-08 US disclosed
US-20050239870-A1 Prevention of restenosis of blood vessels after trauma, angioplasty or stenting; aminoalkylamide, piperidine-, indole-, or pyrrole-amide derivatives; anticarcinogenic agents Eisai Co., Ltd., (JP) 2005-10-27 US disclosed
US-20050171014-A1 Conjugates of ligand linker and cytotoxic agent and related composition and methods of use GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH (US) 2005-08-04 US disclosed
EP-1490054-A2 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER Eisai Co., Ltd (JP) 2004-12-29 EP disclosed
US-20040229819-A1 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2004-11-18 US disclosed
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US disclosed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO disclosed
WO-2003082268-A2 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO. LTD (JP) 2003-10-09 WO 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 (7 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-20050239870-A1 Prevention of restenosis of blood vessels after trauma, angioplasty or stenting; aminoalkylamide, piperidine-, indole-, or pyrrole-amide derivatives; anticarcinogenic agents EDNRA, ARG1, EDNRB CTSK 1022/4885HDAC6 1344/4885CA1 3638/4885
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS CTSK 1987/4885HDAC6 1779/4885CA1 4689/4885
US-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN CTSK 964/4885HDAC6 227/4885CA1 121/4885
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS CTSK 1987/4885HDAC6 1779/4885CA1 4689/4885
US-20040229819-A1 Hemiasterlin derivatives and uses thereof HSD17B7, CYP17A1, DHCR7 CTSK 2268/4885HDAC6 1359/4885CA1 4663/4885
US-20050171014-A1 Conjugates of ligand linker and cytotoxic agent and related composition and methods of use VCL, SELPLG, L3MBTL1 CTSK 1932/4885HDAC6 535/4885CA1 292/4885
US-20050272665-A1 Synthesis of alpha-amino-beta-alkoxy-carboxylic acid esters ALDH7A1, BCAT1, BCAT2 CTSK 2415/4885HDAC6 4041/4885CA1 557/4885

“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.