SCHEMBL6670942

SCHEMBL6670942

CCCCCC(C)(C)[C@@H](NC)C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.61
PDF Q9HBH1 4/20 0.39
MMP3 P08254 14/20 0.34
MMP2 P08253 10/20 0.34
MMP1 P03956 10/20 0.34
MMP7 P09237 4/20 0.34
MMP9 P14780 3/20 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
SCHEMBL6675943 1.00 TUBB1 (0.61) TUBB1PDFMMP3MMP2MMP1
SCHEMBL6670957 1.00 TUBB1 (0.61) TUBB1PDFMMP3MMP2MMP1
SCHEMBL6675933 1.00 TUBB1 (0.61) TUBB1PDFMMP3MMP2MMP1
SCHEMBL6672632 0.89 TUBB1 (0.49) TUBB1PDFMMP3MMP2MMP1
SCHEMBL6672639 0.89 TUBB1 (0.49) TUBB1PDFMMP3MMP2MMP1
SCHEMBL6672636 0.89 TUBB1 (0.49) TUBB1PDFMMP3MMP2MMP1
SCHEMBL6806519 0.89 TUBB1 (0.49) TUBB1PDFMMP3MMP2MMP1
SCHEMBL58085 0.86 TUBB1 (0.74) TUBB1PDF
SCHEMBL13660108 0.86 TUBB1 (0.74) TUBB1PDF
SCHEMBL88548 0.86 TUBB1 (0.74) TUBB1PDF

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 199/4885PDF 3302/4885MMP3 136/4885

“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.