SCHEMBL6670767

SCHEMBL6670767

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)[C@@H](C)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.58
MMP9 P14780 3/20 0.44
MMP8 P22894 3/20 0.44
MMP1 P03956 2/20 0.36
MMP3 P08254 2/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
ADAM17 P78536 2/20 0.35
STAT6 P42226 1/20 0.34
MMP2 P08253 2/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
CTSD P07339 1/20 0.33

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
SCHEMBL6670763 1.00 TUBB1 (0.58) TUBB1MMP9MMP8MMP1MMP3
SCHEMBL6671594 0.91 TUBB1 (0.48) TUBB1MMP9MMP8MMP1MMP3
SCHEMBL6683206 0.91 TUBB1 (0.48) TUBB1MMP9MMP8MMP1MMP3
SCHEMBL6675645 0.84 TUBB1 (0.62) TUBB1MMP1MMP3ADAM17STAT6
SCHEMBL6806372 0.84 TUBB1 (0.62) TUBB1MMP1MMP3ADAM17STAT6
SCHEMBL6673008 0.84 TUBB1 (0.62) TUBB1MMP1MMP3ADAM17STAT6
SCHEMBL6673935 0.84 TUBB1 (0.62) TUBB1MMP1MMP3ADAM17STAT6
SCHEMBL58680 0.84 TUBB1 (0.60) TUBB1MMP1MMP3ADAM17STAT6
SCHEMBL58285 0.83 TUBB1 (0.59) TUBB1MMP9MMP8MMP1MMP3
SCHEMBL13660112 0.83 TUBB1 (0.59) TUBB1MMP9MMP8MMP1MMP3

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-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US claimed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO claimed
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 199/4885MMP9 311/4885MMP8 349/4885

“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.