SCHEMBL6671759

SCHEMBL6671759

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.51
MMP1 P03956 3/20 0.34
MMP2 P08253 13/20 0.34
MMP3 P08254 13/20 0.34
PDF Q9HBH1 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 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
SCHEMBL6671761 1.00 TUBB1 (0.51) TUBB1MMP1MMP2MMP3PDF
SCHEMBL6671755 1.00 TUBB1 (0.51) TUBB1MMP1MMP2MMP3PDF
SCHEMBL58218 1.00 TUBB1 (0.51) TUBB1MMP1MMP2MMP3PDF
SCHEMBL14568138 0.93 TUBB1 (0.53) TUBB1MMP1MMP2MMP3MMP9
SCHEMBL89154 0.93 TUBB1 (0.53) TUBB1MMP1MMP2MMP3MMP9
SCHEMBL58323 0.93 TUBB1 (0.53) TUBB1MMP1MMP2MMP3MMP9
SCHEMBL58793 0.90 TUBB1 (0.60) TUBB1MMP1MMP2MMP3PDF
SCHEMBL13682035 0.90 TUBB1 (0.60) TUBB1MMP1MMP2MMP3PDF
SCHEMBL13682030 0.89 TUBB1 (0.56) TUBB1MMP1MMP2MMP3
SCHEMBL58781 0.89 TUBB1 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US disclosed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO 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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN TUBB1 199/4885MMP1 482/4885MMP2 224/4885

“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.