SCHEMBL57852

SCHEMBL57852

CN[C@H](C(=O)N[C@H](C(=O)N[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1cn(C)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.42
GLA P06280 1/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 2/20 0.34
NR4A2 P43354 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADAM17 P78536 2/20 0.32
TNF P01375 1/20 0.32

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
SCHEMBL14567800 1.00 TUBB1 (0.42) TUBB1GLAALDH1A1SMN1; SMN2POLB
SCHEMBL13847534 0.87 TUBB1 (0.51) TUBB1GLAALDH1A1SMN1; SMN2POLB
SCHEMBL58052 0.87 TUBB1 (0.51) TUBB1GLAALDH1A1SMN1; SMN2POLB
SCHEMBL57969 0.87 TUBB1 (0.51) TUBB1GLAALDH1A1SMN1; SMN2POLB
Hemiasterlin SCHEMBL14115433 0.86 TUBB1 (0.61) TUBB1GLAALDH1A1SMN1; SMN2POLB
Hemiasterlin SCHEMBL4173 0.86 TUBB1 (0.61) TUBB1GLAALDH1A1SMN1; SMN2POLB
Hemiasterlin SCHEMBL13203800 0.86 TUBB1 (0.61) TUBB1GLAALDH1A1SMN1; SMN2POLB
Hemiasterlin SCHEMBL22692376 0.86 TUBB1 (0.61) TUBB1GLAALDH1A1SMN1; SMN2POLB
Hemiasterlin SCHEMBL57334 0.86 TUBB1 (0.61) TUBB1GLAALDH1A1SMN1; SMN2POLB
Hemiasterlin SCHEMBL57313 0.86 TUBB1 (0.61) TUBB1GLAALDH1A1SMN1; SMN2POLB

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-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD (JP) 2014-10-16 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-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

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 1330/4885GLA 1256/4885ALDH1A1 1088/4885
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS TUBB1 1668/4885GLA 1444/4885ALDH1A1 1175/4885
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS TUBB1 1330/4885GLA 1256/4885ALDH1A1 1088/4885
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 1157/4885GLA 456/4885ALDH1A1 3053/4885

“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.