SCHEMBL6675641

SCHEMBL6675641

CNC(=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)C

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.69
▸ MMP1 P03956 7/20 0.34
▸ ADAM17 P78536 6/20 0.34
▸ STAT6 P42226 2/20 0.34
▸ MMP3 P08254 5/20 0.33
▸ MMP2 P08253 5/20 0.33
▸ TNF P01375 1/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 1/20 0.32
▸ MMP14 P50281 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL57908 1.00 TUBB1 (0.69) TUBB1MMP1ADAM17STAT6MMP3
Trifluoroacetic Acid SCHEMBL6674546 0.95 TUBB1 (0.64) TUBB1MMP1ADAM17STAT6MMP3
Trifluoroacetic Acid SCHEMBL6674557 0.95 TUBB1 (0.64) TUBB1MMP1ADAM17STAT6MMP3
SCHEMBL4367059 0.93 TUBB1 (0.68) TUBB1MMP1ADAM17STAT6MMP3
SCHEMBL4367047 0.93 TUBB1 (0.68) TUBB1MMP1ADAM17STAT6MMP3
SCHEMBL4369885 0.92 TUBB1 (0.67) TUBB1MMP1ADAM17STAT6MMP3
SCHEMBL4369892 0.92 TUBB1 (0.67) TUBB1MMP1ADAM17STAT6MMP3
Taltobulin SCHEMBL58672 0.92 TUBB1 (0.81) TUBB1MMP1ADAM17STAT6MMP3
SCHEMBL13751422 0.92 TUBB1 (0.72) TUBB1MMP1ADAM17STAT6MMP3
Taltobulin SCHEMBL4378011 0.92 TUBB1 (0.81) TUBB1MMP1ADAM17STAT6MMP3

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 199/4885MMP1 482/4885ADAM17 1762/4885

“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.

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