SCHEMBL6671387

SCHEMBL6671387

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(C)(C)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.63
TRPA1 O75762 1/20 0.35
MMP2 P08253 11/20 0.35
MMP3 P08254 8/20 0.35
MMP1 P03956 4/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 1/20 0.34
ADAM17 P78536 1/20 0.34
MMP14 P50281 1/20 0.33
STAT6 P42226 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
SCHEMBL6672221 1.00 TUBB1 (0.63) TUBB1TRPA1MMP2MMP3MMP1
SCHEMBL6674349 0.86 TUBB1 (0.66) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL6672248 0.86 TUBB1 (0.66) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL58285 0.85 TUBB1 (0.59) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL13660112 0.85 TUBB1 (0.59) TUBB1MMP2MMP3MMP1MMP9
Taltobulin SCHEMBL6670481 0.85 TUBB1 (0.81) TUBB1MMP2MMP3MMP1MMP9
Taltobulin SCHEMBL57119 0.85 TUBB1 (0.81) TUBB1MMP2MMP3MMP1MMP9
Taltobulin SCHEMBL6799555 0.85 TUBB1 (0.81) TUBB1MMP2MMP3MMP1MMP9
Taltobulin SCHEMBL57122 0.85 TUBB1 (0.81) TUBB1MMP2MMP3MMP1MMP9
Taltobulin SCHEMBL13751415 0.85 TUBB1 (0.81) TUBB1MMP2MMP3MMP1MMP9

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 199/4885TRPA1 4271/4885MMP2 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.