SCHEMBL57909

SCHEMBL57909

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCOCC1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.36
CTSS P25774 8/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.34
KCNA5 P22460 1/20 0.33
TACR1 P25103 2/20 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
SCHEMBL88733 1.00 TUBB1 (0.61) TUBB1SMN1; SMN2CTSSCNR2CNR1
SCHEMBL4373023 1.00 TUBB1 (0.61) TUBB1SMN1; SMN2CTSSCNR2CNR1
SCHEMBL58347 0.92 TUBB1 (0.63) TUBB1CNR2
SCHEMBL4371556 0.92 TUBB1 (0.53) TUBB1SMN1; SMN2CNR2CNR1
SCHEMBL4370881 0.91 TUBB1 (0.55) TUBB1CNR2
SCHEMBL4370474 0.91 TUBB1 (0.55) TUBB1CNR2
SCHEMBL4374151 0.91 TUBB1 (0.61) TUBB1CNR2
SCHEMBL4370830 0.90 TUBB1 (0.56) TUBB1SMN1; SMN2CNR2CNR1
SCHEMBL4368741 0.90 TUBB1 (0.56) TUBB1SMN1; SMN2CNR2CNR1
SCHEMBL4366902 0.87 TUBB1 (0.59) TUBB1SMN1; SMN2

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 23 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-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-7585976-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2009-09-08 US disclosed
US-7585976-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2009-09-08 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 (5 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 1330/4885SMN1; SMN2 4520/4885CTSS 2074/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885SMN1; SMN2 3328/4885CTSS 2714/4885
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS TUBB1 1668/4885SMN1; SMN2 4604/4885CTSS 2468/4885
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS TUBB1 1330/4885SMN1; SMN2 4520/4885CTSS 2074/4885
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 1157/4885SMN1; SMN2 2823/4885CTSS 416/4885

“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.