SCHEMBL6805382

SCHEMBL6805382

C=CC[C@@H](/C=C(\C)C(=O)O)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)(C)c1ccccc1)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.59
MMP2 P08253 12/20 0.33
MMP3 P08254 8/20 0.33
MMP1 P03956 7/20 0.33
MMP7 P09237 2/20 0.32
ADAM17 P78536 2/20 0.32
TNF P01375 1/20 0.32
PDF Q9HBH1 1/20 0.32
STAT6 P42226 2/20 0.31
MMP9 P14780 1/20 0.31
MMP14 P50281 1/20 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
SCHEMBL13848318 0.90 TUBB1 (0.61) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL58029 0.90 TUBB1 (0.61) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL6670504 0.88 TUBB1 (0.62) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL6674523 0.88 TUBB1 (0.60) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL58793 0.88 TUBB1 (0.60) TUBB1MMP2MMP3MMP1PDF
SCHEMBL13682035 0.88 TUBB1 (0.60) TUBB1MMP2MMP3MMP1PDF
SCHEMBL6674531 0.88 TUBB1 (0.60) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL6672738 0.86 TUBB1 (0.47) TUBB1MMP2MMP3MMP1
SCHEMBL6806052 0.86 TUBB1 (0.47) TUBB1MMP2MMP3MMP1
SCHEMBL6670635 0.86 TUBB1 (0.58) TUBB1MMP2MMP3PDF

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 2 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
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US 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 199/4885MMP2 224/4885MMP3 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.