SCHEMBL57433

SCHEMBL57433

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
GLO1 Q04760 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
TUBB1 Q9H4B7 1/20 0.30

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
SCHEMBL10175776 1.00 NFKB1 (0.32) NFKB1NFKB2RELAGLO1HDAC6
SCHEMBL12202636 0.86 NFKB1 (0.33) NFKB1NFKB2RELAGLO1HDAC6
SCHEMBL57627 0.83 TUBB1 (0.33) AAK1TUBB1
SCHEMBL16169554 0.82 TUBB1 (0.34) GLO1CYP2C9CYP2D6CYP2C19TUBB1
SCHEMBL14210216 0.82 TUBB1 (0.34) GLO1CYP2C9CYP2D6CYP2C19TUBB1
SCHEMBL14210612 0.82 GLO1 (0.34) GLO1CYP2C9CYP2D6CYP2C19
SCHEMBL6671670 0.82 AAK1 (0.36) NFKB1NFKB2RELAGLO1AAK1
SCHEMBL6671661 0.82 AAK1 (0.36) NFKB1NFKB2RELAGLO1AAK1
SCHEMBL12202580 0.81 TUBB1 (0.41) AAK1TUBB1
SCHEMBL4365675 0.81 TUBB1 (0.41) AAK1TUBB1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265173-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS BC INC. (CA) 2023-08-24 US disclosed
US-11560422-B2 Sulfonamide-containing linkage systems for drug conjugates ZYMEWORKS INC. 2023-01-24 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-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-8633224-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI CO., LTD. (JP) 2014-01-21 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-8129407-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI INC. (US) 2012-03-06 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-20090088573-A1 BIOLOGICALLY ACTIVE PEPTIDES AND COMPOSITIONS, THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2009-04-02 US disclosed
US-20090088573-A1 BIOLOGICALLY ACTIVE PEPTIDES AND COMPOSITIONS, THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2009-04-02 US disclosed
US-7410951-B2 Biologically active peptides and compositions, their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-08-12 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
US-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 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 (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-20230265173-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES MPST, TPST2, SULT1A1 NFKB1 4357/4885NFKB2 4208/4885RELA 3473/4885
US-20090088573-A1 BIOLOGICALLY ACTIVE PEPTIDES AND COMPOSITIONS, THEIR USE NGLY1, CDC20, CCNB3 NFKB1 477/4885NFKB2 417/4885RELA 747/4885
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS NFKB1 1510/4885NFKB2 882/4885RELA 584/4885
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS NFKB1 1677/4885NFKB2 1189/4885RELA 621/4885
US-11560422-B2 Sulfonamide-containing linkage systems for drug conjugates MPST, TPST2, SULT1A1 NFKB1 4357/4885NFKB2 4208/4885RELA 3473/4885
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS NFKB1 1677/4885NFKB2 1189/4885RELA 621/4885
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 NFKB1 1865/4885NFKB2 1650/4885RELA 1496/4885

“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.