SCHEMBL89243

SCHEMBL89243

CNC(C(=O)NC(C(=O)N(C)C(/C=C(\C)COCC(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.62
MMP3 P08254 5/20 0.34
MMP1 P03956 2/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
STAT6 P42226 2/20 0.33
MMP2 P08253 11/20 0.33
ADAM17 P78536 3/20 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
SCHEMBL13848969 1.00 TUBB1 (0.62) TUBB1MMP3MMP1MMP9MMP8
SCHEMBL13682604 1.00 TUBB1 (0.62) TUBB1MMP3MMP1MMP9MMP8
SCHEMBL57221 1.00 TUBB1 (0.62) TUBB1MMP3MMP1MMP9MMP8
SCHEMBL14233245 0.93 TUBB1 (0.62) TUBB1MMP3MMP1MMP9MMP8
SCHEMBL88936 0.91 TUBB1 (0.60) TUBB1MMP3MMP1MMP9MMP8
SCHEMBL14233799 0.91 TUBB1 (0.60) TUBB1MMP3MMP1MMP9MMP8
SCHEMBL58648 0.91 TUBB1 (0.66) TUBB1MMP3MMP1MMP9MMP8
SCHEMBL12202761 0.91 TUBB1 (0.66) TUBB1MMP3MMP1MMP9MMP8
SCHEMBL57789 0.91 TUBB1 (0.66) TUBB1MMP3MMP1MMP9MMP8
SCHEMBL88735 0.91 TUBB1 (0.66) TUBB1MMP3MMP1MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2012-12-06 US disclosed
EP-2374454-A1 Hemiasterlin derivatives and uses thereof in the treatment of cancer Eisai R&D Management Co., Ltd. (JP) 2011-10-12 EP 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-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS TUBB1 1330/4885MMP3 4096/4885MMP1 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.