SCHEMBL59443

SCHEMBL59443

C/C(=C\[C@H](C(C)C)N(C)C(=O)C(NC(=O)[C@H]1CCCCN1C(C)C)C(C)(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.58
▸ ELANE P08246 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
SCHEMBL59048 1.00 TUBB1 (0.58) TUBB1ELANE
SCHEMBL1901975 1.00 TUBB1 (0.58) TUBB1ELANE
SCHEMBL15435038 1.00 TUBB1 (0.58) TUBB1ELANE
SCHEMBL58338 1.00 TUBB1 (0.58) TUBB1ELANE
SCHEMBL13682227 1.00 TUBB1 (0.58) TUBB1ELANE
SCHEMBL59676 1.00 TUBB1 (0.58) TUBB1ELANE
SCHEMBL15435013 1.00 TUBB1 (0.58) TUBB1ELANE
SCHEMBL59693 1.00 TUBB1 (0.58) TUBB1ELANE
SCHEMBL89669 1.00 TUBB1 (0.58) TUBB1ELANE
SCHEMBL60266 1.00 TUBB1 (0.58) TUBB1ELANE

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative Sumitomo Pharma Co., Ltd. (JP) 2023-10-24 — — US disclosed
US-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-30 — — US disclosed
US-20220144889-A1 Hemiasterlin Derivative Having Cysteine Residue SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-05-12 — — US disclosed
US-20210069147-A1 PHARMACEUTICAL COMBINATION AND USES THEREOF BIONOMICS LIMITED (AU) 2021-03-11 — — US disclosed
US-20200247847-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-06 — — US disclosed
US-10564162-B2 Predictive biomarkers BIONOMICS LIMITED (AU) 2020-02-18 — — US disclosed
US-10520508-B2 Predictive baseline biomarkers for use of vascular disrupting agents BIONOMICS LIMITED (AU) 2019-12-31 — — US disclosed
US-20180196048-A1 PREDICTIVE BIOMARKERS BIONOMICS LIMITED (AU) 2018-07-12 — — US disclosed
US-20180196056-A1 PREDICTIVE BASELINE BIOMARKERS FOR USE OF VASCULAR DISRUPTING AGENTS BIONOMICS LIMITED (AU) 2018-07-12 — — US disclosed
US-20180161302-A1 PHARMACEUTICAL COMBINATION AND USES THEREOF BIONOMICS LIMITED (AU) 2018-06-14 — — US disclosed
US-20170135980-A1 PREDICTING RESPONSE TO CANCER THERAPY BIONOMICS LIMITED (AU) 2017-05-18 — — US disclosed
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-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-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 (13 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-20170135980-A1 PREDICTING RESPONSE TO CANCER THERAPY RPTOR, MTOR, PIK3CA TUBB1 958/4885ELANE 3511/4885
US-20220144889-A1 Hemiasterlin Derivative Having Cysteine Residue SHBG, CYP11A1, CYP11B1 TUBB1 1472/4885ELANE 2944/4885
US-20180196048-A1 PREDICTIVE BIOMARKERS MMP10, SHBG, MMP11 TUBB1 421/4885ELANE 402/4885
US-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells POU5F1, POU2F1, POU2F2 TUBB1 119/4885ELANE 2284/4885
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS TUBB1 1330/4885ELANE 4023/4885
US-10520508-B2 Predictive baseline biomarkers for use of vascular disrupting agents CXCL8, LGALS8, S100A8 TUBB1 850/4885ELANE 246/4885
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative HSD3B2, HSD3B1, HSD11B2 TUBB1 624/4885ELANE 3697/4885
US-20180196056-A1 PREDICTIVE BASELINE BIOMARKERS FOR USE OF VASCULAR DISRUPTING AGENTS CXCL8, LGALS8, S100A8 TUBB1 850/4885ELANE 246/4885
US-20210069147-A1 PHARMACEUTICAL COMBINATION AND USES THEREOF PDCD1, CD274, PDCD1LG2 TUBB1 19/4885ELANE 3519/4885
US-20200247847-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative HSD3B2, HSD3B1, HSD11B2 TUBB1 624/4885ELANE 3697/4885
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 1157/4885ELANE 3437/4885
US-20180161302-A1 PHARMACEUTICAL COMBINATION AND USES THEREOF PDCD1, CD274, PDCD1LG2 TUBB1 19/4885ELANE 3519/4885
US-10564162-B2 Predictive biomarkers MMP10, SHBG, MMP11 TUBB1 421/4885ELANE 402/4885

“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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