SCHEMBL58793

SCHEMBL58793

CCC[C@@H](/C=C(\C)C(=O)O)N(C)C(=O)[C@@H](NC(=O)C(NC)C(C)(C)c1ccccc1)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.60
MMP1 P03956 2/20 0.36
MMP2 P08253 15/20 0.36
MMP3 P08254 13/20 0.36
PDF Q9HBH1 1/20 0.35

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
SCHEMBL13682035 1.00 TUBB1 (0.60) TUBB1MMP1MMP2MMP3PDF
SCHEMBL6670635 0.94 TUBB1 (0.58) TUBB1MMP2MMP3PDF
Hydrochloric Acid SCHEMBL6807330 0.93 TUBB1 (0.56) TUBB1MMP1MMP2MMP3PDF
SCHEMBL13848318 0.92 TUBB1 (0.61) TUBB1MMP1MMP2MMP3
SCHEMBL58029 0.92 TUBB1 (0.61) TUBB1MMP1MMP2MMP3
SCHEMBL6671761 0.90 TUBB1 (0.51) TUBB1MMP1MMP2MMP3PDF
SCHEMBL6671759 0.90 TUBB1 (0.51) TUBB1MMP1MMP2MMP3PDF
SCHEMBL58218 0.90 TUBB1 (0.51) TUBB1MMP1MMP2MMP3PDF
SCHEMBL6671755 0.90 TUBB1 (0.51) TUBB1MMP1MMP2MMP3PDF
SCHEMBL6670504 0.89 TUBB1 (0.62) TUBB1MMP1MMP2MMP3

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 3 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-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-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS TUBB1 1330/4885MMP1 4825/4885MMP2 2548/4885

“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.