SCHEMBL6671626

SCHEMBL6671626

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@@H](C)OCc1ccccc1)N(C)C(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.42
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
SYK P43405 1/20 0.33
PTPN1 P18031 6/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTSS P25774 2/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
CDC25B P30305 3/20 0.32
PTPN2 P17706 2/20 0.32
CDC25A P30304 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL6671625 1.00 TUBB1 (0.42) TUBB1MMP9MMP8SMN1; SMN2SYK
SCHEMBL6671594 0.85 TUBB1 (0.48) TUBB1MMP9MMP8SMN1; SMN2PTPN1
SCHEMBL6683206 0.85 TUBB1 (0.48) TUBB1MMP9MMP8SMN1; SMN2PTPN1
SCHEMBL14210209 0.83 TUBB1 (0.49) TUBB1SMN1; SMN2CTSSCTSLCTSB
SCHEMBL13660105 0.83 TUBB1 (0.49) TUBB1SMN1; SMN2CTSSCTSLCTSB
SCHEMBL58263 0.83 TUBB1 (0.49) TUBB1SMN1; SMN2CTSSCTSLCTSB
SCHEMBL22069860 0.83 TUBB1 (0.49) TUBB1SMN1; SMN2CTSSCTSLCTSB
SCHEMBL6670340 0.81 TUBB1 (0.47) TUBB1MMP8SMN1; SMN2
SCHEMBL6670337 0.81 TUBB1 (0.47) TUBB1MMP8SMN1; SMN2
SCHEMBL6671660 0.80 TUBB1 (0.44) TUBB1

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 199/4885MMP9 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.