SCHEMBL58781

SCHEMBL58781

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.56
STAT6 P42226 2/20 0.34
MMP1 P03956 3/20 0.33
ADAM17 P78536 2/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP2 P08253 6/20 0.32
MMP3 P08254 4/20 0.32
POLB P06746 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
SCHEMBL13682030 1.00 TUBB1 (0.56) TUBB1STAT6MMP1ADAM17CTSL
SCHEMBL14591405 0.92 TUBB1 (0.67) TUBB1STAT6MMP1ADAM17CTSL
SCHEMBL14186137 0.92 TUBB1 (0.67) TUBB1STAT6MMP1ADAM17CTSL
SCHEMBL58750 0.92 TUBB1 (0.67) TUBB1STAT6MMP1ADAM17CTSL
SCHEMBL57410 0.92 TUBB1 (0.67) TUBB1STAT6MMP1ADAM17CTSL
SCHEMBL13682076 0.92 TUBB1 (0.67) TUBB1STAT6MMP1ADAM17CTSL
SCHEMBL58344 0.92 TUBB1 (0.67) TUBB1STAT6MMP1ADAM17CTSL
SCHEMBL57979 0.92 TUBB1 (0.67) TUBB1STAT6MMP1ADAM17CTSL
SCHEMBL5980725 0.92 TUBB1 (0.67) TUBB1STAT6MMP1ADAM17CTSL
SCHEMBL14568137 0.92 TUBB1 (0.67) TUBB1STAT6MMP1ADAM17CTSL

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 1330/4885STAT6 4739/4885MMP1 4825/4885

“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.