SCHEMBL58471

SCHEMBL58471

C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)C1CCCN1C)C(C)(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.58
ELANE P08246 2/20 0.37
STAT6 P42226 5/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CASP1 P29466 1/20 0.32
CASP4 P49662 1/20 0.32
CASP5 P51878 1/20 0.32
CASP7 P55210 1/20 0.32
CASP9 P55211 1/20 0.32
CASP8 Q14790 1/20 0.32
CASP10 Q92851 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
SCHEMBL58037 1.00 TUBB1 (0.58) TUBB1ELANESTAT6CYP3A4CYP2D6
SCHEMBL4378540 1.00 TUBB1 (0.58) TUBB1ELANESTAT6CYP3A4CYP2D6
SCHEMBL14592398 0.98 TUBB1 (0.59) TUBB1ELANESTAT6CYP3A4CYP2D6
SCHEMBL18421084 0.98 TUBB1 (0.59) TUBB1ELANESTAT6CYP3A4CYP2D6
SCHEMBL16316203 0.98 TUBB1 (0.59) TUBB1ELANESTAT6CYP3A4CYP2D6
SCHEMBL58832 0.98 TUBB1 (0.59) TUBB1ELANESTAT6CYP3A4CYP2D6
SCHEMBL13681898 0.98 TUBB1 (0.59) TUBB1ELANESTAT6CYP3A4CYP2D6
SCHEMBL89591 0.98 TUBB1 (0.59) TUBB1ELANESTAT6CYP3A4CYP2D6
SCHEMBL18421085 0.98 TUBB1 (0.59) TUBB1ELANESTAT6CYP3A4CYP2D6
SCHEMBL13681981 0.98 TUBB1 (0.59) TUBB1ELANESTAT6CYP3A4CYP2D6

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-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-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof EISAI CO., LTD. (JP) 2008-05-08 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 (2 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 1330/4885ELANE 4023/4885STAT6 4739/4885
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS TUBB1 1668/4885ELANE 4153/4885STAT6 4810/4885

“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.