SCHEMBL13682373

SCHEMBL13682373

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)N1CCC[C@H]1C(=O)NCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.41
▸ CMA1 P23946 9/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL59619 1.00 TUBB1 (0.41) TUBB1CMA1KMT2APOLBSMN1; SMN2
SCHEMBL15430023 1.00 TUBB1 (0.41) TUBB1CMA1KMT2APOLBSMN1; SMN2
SCHEMBL59743 0.89 TUBB1 (0.44) TUBB1ELANE
SCHEMBL15430046 0.89 TUBB1 (0.44) TUBB1ELANE
SCHEMBL13682405 0.89 TUBB1 (0.44) TUBB1ELANE
SCHEMBL13682334 0.89 TUBB1 (0.49) TUBB1ELANE
SCHEMBL58236 0.89 TUBB1 (0.49) TUBB1ELANE
SCHEMBL15429992 0.89 TUBB1 (0.49) TUBB1ELANE
SCHEMBL59233 0.88 TUBB1 (0.43) TUBB1KMT2AMEN1
SCHEMBL14211034 0.88 TUBB1 (0.43) TUBB1KMT2AELANEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 1157/4885CMA1 471/4885KMT2A 3889/4885

“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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