SCHEMBL60266

SCHEMBL60266

C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)C1CCCCN1C(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
SCHEMBL59443 1.00 TUBB1 (0.58) TUBB1ELANE
SCHEMBL89669 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881829-A2 UNSOLVATED AND HOST-GUEST SOLVATED CRYSTALLINE FORMS OF (2E,4S)-4-[(N-{[(2R)-1-ISOPROPYLPIPERIDIN-2-YL]-CARBONYL}-3-METHYL-L-VALYL)(METHYL)AMINO]-2,5-DIMETHYLHEX-2-ENOIC ACID AND THEIR PHARMACEUTICAL USES Eisai Co., Ltd. (JP) 2008-01-30 — — EP claimed
WO-2006121857-A2 UNSOLVATED AND HOST-GUEST SOLVATED CRYSTALLINE FORMS OF (2E,4S)-4-[(N-{[(2R)-1-ISOPROPYLPIPERIDIN-2-YL]-CARBONYL}-3-METHYL-L-VALYL)(METHYL)AMINO]-2,5-DIMETHYLHEX-2-ENOIC ACID AND THEIR PHARMACEUTICAL USES EISAI CO., LTD. (JP) 2006-11-16 — — WO claimed
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same Sumitomo Pharma Co., Ltd. (JP) 2024-06-25 — — US disclosed
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same Sumitomo Pharma Co., Ltd. (JP) 2024-06-25 — — US disclosed
US-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-30 — — US disclosed
US-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-06 — — 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
EP-2374454-A1 Hemiasterlin derivatives and uses thereof in the treatment of cancer Eisai R&D Management Co., Ltd. (JP) 2011-10-12 — — EP 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
EP-1881829-A2 UNSOLVATED AND HOST-GUEST SOLVATED CRYSTALLINE FORMS OF (2E,4S)-4-[(N-{[(2R)-1-ISOPROPYLPIPERIDIN-2-YL]-CARBONYL}-3-METHYL-L-VALYL)(METHYL)AMINO]-2,5-DIMETHYLHEX-2-ENOIC ACID AND THEIR PHARMACEUTICAL USES Eisai Co., Ltd. (JP) 2008-01-30 — — EP disclosed
US-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 — — US disclosed
WO-2006121857-A2 UNSOLVATED AND HOST-GUEST SOLVATED CRYSTALLINE FORMS OF (2E,4S)-4-[(N-{[(2R)-1-ISOPROPYLPIPERIDIN-2-YL]-CARBONYL}-3-METHYL-L-VALYL)(METHYL)AMINO]-2,5-DIMETHYLHEX-2-ENOIC ACID AND THEIR PHARMACEUTICAL USES EISAI CO., LTD. (JP) 2006-11-16 — — 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-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-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS TUBB1 1668/4885ELANE 4153/4885
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS TUBB1 1330/4885ELANE 4023/4885
US-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same FCGRT, QARS1, INHA TUBB1 436/4885ELANE 4511/4885
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-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA TUBB1 436/4885ELANE 4511/4885

“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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