SCHEMBL6674364

SCHEMBL6674364

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](NC)C(C)(C)c1ccc(Cl)cc1)C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL6671858 1.00 TUBB1 (0.67) TUBB1SMN1; SMN2ALDH1A1GAATDP1
SCHEMBL6671869 0.93 TUBB1 (0.67) TUBB1SMN1; SMN2GAAMMP1MMP3
SCHEMBL20732296 0.93 TUBB1 (0.67) TUBB1
SCHEMBL6674543 0.93 TUBB1 (0.67) TUBB1MMP1MMP3
SCHEMBL6673649 0.93 TUBB1 (0.67) TUBB1MMP1MMP3
SCHEMBL27407767 0.93 TUBB1 (0.67) TUBB1
SCHEMBL6670372 0.93 TUBB1 (0.67) TUBB1SMN1; SMN2GAAMMP1MMP3
SCHEMBL6806247 0.92 TUBB1 (0.66) TUBB1ALDH1A1GAATDP1MMP3
SCHEMBL6687972 0.92 TUBB1 (0.66) TUBB1ALDH1A1GAATDP1MMP3
SCHEMBL6687979 0.92 TUBB1 (0.66) TUBB1ALDH1A1GAATDP1MMP3

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 199/4885SMN1; SMN2 1481/4885ALDH1A1 612/4885

“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.