SCHEMBL58246

SCHEMBL58246

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)CO)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.64
MMP2 P08253 7/20 0.35
MMP3 P08254 7/20 0.35
ADAM17 P78536 6/20 0.35
MMP1 P03956 5/20 0.35
TNF P01375 1/20 0.35
STAT6 P42226 2/20 0.34
TRPA1 O75762 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL58652 1.00 TUBB1 (0.64) TUBB1MMP2MMP3ADAM17MMP1
SCHEMBL88707 1.00 TUBB1 (0.64) TUBB1MMP2MMP3ADAM17MMP1
SCHEMBL14233306 1.00 TUBB1 (0.64) TUBB1MMP2MMP3ADAM17MMP1
SCHEMBL4862472 1.00 TUBB1 (0.64) TUBB1MMP2MMP3ADAM17MMP1
SCHEMBL4372660 1.00 TUBB1 (0.64) TUBB1MMP2MMP3ADAM17MMP1
Trifluoroacetic Acid SCHEMBL4372079 0.96 TUBB1 (0.60) TUBB1MMP2MMP3ADAM17MMP1
Trifluoroacetic Acid SCHEMBL4372087 0.96 TUBB1 (0.60) TUBB1MMP2MMP3ADAM17MMP1
SCHEMBL13682456 0.92 TUBB1 (0.64) TUBB1MMP2MMP3ADAM17MMP1
SCHEMBL4368562 0.90 TUBB1 (0.70) TUBB1MMP2MMP3ADAM17MMP1
SCHEMBL13581415 0.90 TUBB1 (0.70) TUBB1MMP2MMP3ADAM17MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 WO claimed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 US claimed
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-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-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-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 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
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 WO disclosed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 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 (6 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 1330/4885MMP2 2548/4885MMP3 4096/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885MMP2 2521/4885MMP3 3140/4885
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS TUBB1 1668/4885MMP2 3272/4885MMP3 4496/4885
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS TUBB1 1330/4885MMP2 2548/4885MMP3 4096/4885
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS TUBB1 1330/4885MMP2 2548/4885MMP3 4096/4885
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 1157/4885MMP2 1161/4885MMP3 2344/4885

“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.