SCHEMBL57626

SCHEMBL57626

C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)C1CCCCN1)C(C)(C)C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.61
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
DPP7 Q9UHL4 1/20 0.33
CTSC P53634 4/20 0.32
CTSK P43235 2/20 0.32
KCNH2 Q12809 2/20 0.32
GHSR Q92847 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADAM17 P78536 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
SCHEMBL13681967 1.00 TUBB1 (0.61) TUBB1CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL10176577 1.00 TUBB1 (0.61) TUBB1CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL13681966 1.00 TUBB1 (0.61) TUBB1CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL27400494 0.94 TUBB1 (0.52) TUBB1CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL88616 0.87 TUBB1 (0.47) TUBB1CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL13681965 0.87 TUBB1 (0.47) TUBB1CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL57429 0.87 TUBB1 (0.47) TUBB1CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL15434941 0.87 TUBB1 (0.47) TUBB1CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL57950 0.87 TUBB1 (0.47) TUBB1CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL17733995 0.87 TUBB1 (0.47) TUBB1CYP3A4CYP2D6CYP2C9TSHR

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 1330/4885CYP3A4 249/4885CYP2D6 279/4885
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS TUBB1 1668/4885CYP3A4 194/4885CYP2D6 242/4885

“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.