SCHEMBL88463

SCHEMBL88463

CCC(CC)(NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.45
PTPRB P23467 1/20 0.38
CA12 O43570 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA1 P00915 2/20 0.38
CA7 P43166 2/20 0.38
CA2 P00918 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
CTSK P43235 5/20 0.34
CTSS P25774 2/20 0.34
APLNR P35414 1/20 0.34
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP2D6 P10635 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
SCHEMBL13201421 0.87 DGAT1 (0.38) DGAT1PTPRBCA12CA14CA1
SCHEMBL13201422 0.85 MAPT (0.43) DGAT1PTPRBCA12CA14CA1
SCHEMBL88462 0.82 CTSK (0.41) CA12CA14CA1CA7CA2
SCHEMBL15116461 0.82 CA1 (0.39) DGAT1CA12CA14CA1CA7
SCHEMBL21423491 0.82 CA12 (0.34) DGAT1PTPRBCA12CA14CA1
SCHEMBL4792294 0.81 DGAT1 (0.45) DGAT1PTPRBCA12CA14CA1
SCHEMBL29383045 0.81 DGAT1 (0.45) DGAT1PTPRBCA12CA14CA1
SCHEMBL14014453 0.81 DGAT1 (0.33) DGAT1PTPRBCA12CA14CA1
SCHEMBL18205451 0.79 DGAT1 (0.44) DGAT1PTPRBCA12CA14CA1
SCHEMBL14152176 0.79 CA1 (0.39) CA12CA14CA1CA7CA2

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 10 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-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-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 (5 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 DGAT1 4627/4885PTPRB 2296/4885CA12 3690/4885
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS DGAT1 4559/4885PTPRB 2362/4885CA12 4156/4885
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS DGAT1 4627/4885PTPRB 2296/4885CA12 3690/4885
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS DGAT1 4627/4885PTPRB 2296/4885CA12 3690/4885
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 DGAT1 4527/4885PTPRB 2620/4885CA12 4124/4885

“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.