SCHEMBL6671869

SCHEMBL6671869

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(C)cc1)C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.67
DHODH Q02127 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMP1 P03956 2/20 0.31
MMP3 P08254 2/20 0.31
TNF P01375 1/20 0.31
MMP2 P08253 1/20 0.31
ADAM17 P78536 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL6670372 1.00 TUBB1 (0.67) TUBB1DHODHGAAHTTSMN1; SMN2
SCHEMBL27407767 0.95 TUBB1 (0.67) TUBB1NPSR1
SCHEMBL20732296 0.95 TUBB1 (0.67) TUBB1NPSR1
SCHEMBL6674543 0.95 TUBB1 (0.67) TUBB1MMP1MMP3NPSR1
SCHEMBL6673649 0.95 TUBB1 (0.67) TUBB1MMP1MMP3NPSR1
SCHEMBL6806247 0.94 TUBB1 (0.66) TUBB1GAAMMP3MMP2ADAM17
SCHEMBL6687972 0.94 TUBB1 (0.66) TUBB1GAAMMP3MMP2ADAM17
SCHEMBL6687979 0.94 TUBB1 (0.66) TUBB1GAAMMP3MMP2ADAM17
SCHEMBL6671858 0.93 TUBB1 (0.67) TUBB1GAASMN1; SMN2MMP1MMP3
SCHEMBL6674364 0.93 TUBB1 (0.67) TUBB1GAASMN1; SMN2MMP1MMP3

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 199/4885DHODH 694/4885GAA 328/4885

“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.