SCHEMBL6673533

SCHEMBL6673533

CCOC(=O)/C(C)=C/[C@@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)(C)c1ccccc1)C(C)(C)SCc1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.62
MMP1 P03956 5/20 0.33
MMP13 P45452 2/20 0.33
MMP3 P08254 3/20 0.32
MMP2 P08253 1/20 0.32
PTPN1 P18031 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ACE P12821 2/20 0.31
KIF11 P52732 1/20 0.31
CACNA1G O43497 1/20 0.31
MMP9 P14780 2/20 0.30
KLK7 P49862 1/20 0.30
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL6673120 0.92 TUBB1 (0.74) TUBB1MMP1MMP13MMP3MMP2
SCHEMBL6804486 0.89 TUBB1 (0.79) TUBB1MMP1MMP13MMP3MMP2
SCHEMBL6806409 0.89 TUBB1 (0.48) TUBB1MMP1MMP13MMP3MMP2
SCHEMBL6669516 0.86 TUBB1 (0.79) TUBB1MMP1MMP13MMP3MMP2
SCHEMBL58344 0.86 TUBB1 (0.67) TUBB1MMP1MMP3MMP2MMP9
SCHEMBL57979 0.86 TUBB1 (0.67) TUBB1MMP1MMP3MMP2MMP9
SCHEMBL5980725 0.86 TUBB1 (0.67) TUBB1MMP1MMP3MMP2MMP9
SCHEMBL13682076 0.86 TUBB1 (0.67) TUBB1MMP1MMP3MMP2MMP9
SCHEMBL57410 0.86 TUBB1 (0.67) TUBB1MMP1MMP3MMP2MMP9
SCHEMBL14186137 0.86 TUBB1 (0.67) TUBB1MMP1MMP3MMP2MMP9

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 482/4885MMP13 293/4885

“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.