SCHEMBL58332

SCHEMBL58332

COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.41
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ STAT3 P40763 2/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ NTSR2 O95665 2/20 0.33
▸ NTSR1 P30989 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ SORT1 Q99523 1/20 0.32
▸ F13A1 P00488 1/20 0.32
▸ TGM2 P21980 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
SCHEMBL15430031 1.00 TUBB1 (0.41) TUBB1KMT2ASMN1; SMN2STAT3ITGB1
SCHEMBL15435026 1.00 TUBB1 (0.41) TUBB1KMT2ASMN1; SMN2STAT3ITGB1
SCHEMBL13682384 1.00 TUBB1 (0.41) TUBB1KMT2ASMN1; SMN2STAT3ITGB1
SCHEMBL15430021 0.92 TUBB1 (0.41) TUBB1ITGB1ITGA4NTSR1
SCHEMBL59703 0.90 TUBB1 (0.39) TUBB1ITGB1ITGA4
SCHEMBL13682371 0.90 TUBB1 (0.39) TUBB1ITGB1ITGA4
SCHEMBL13682334 0.88 TUBB1 (0.49) TUBB1
SCHEMBL58236 0.88 TUBB1 (0.49) TUBB1
SCHEMBL15429992 0.88 TUBB1 (0.49) TUBB1
SCHEMBL59971 0.88 CMA1 (0.43) —

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 13 patents. 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-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-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-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 TUBB1 1330/4885KMT2A 3692/4885SMN1; SMN2 4520/4885
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS TUBB1 1668/4885KMT2A 3297/4885SMN1; SMN2 4604/4885
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS TUBB1 1330/4885KMT2A 3692/4885SMN1; SMN2 4520/4885
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 1157/4885KMT2A 3889/4885SMN1; SMN2 2823/4885

“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.

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