SCHEMBL6806060

SCHEMBL6806060

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MMP13 P45452 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MMP1 P03956 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ STAT6 P42226 1/20 0.30
▸ AAK1 Q2M2I8 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
SCHEMBL6672740 1.00 TUBB1 (0.44) TUBB1NPSR1MMP13MAPTUSP2
SCHEMBL6672739 1.00 TUBB1 (0.44) TUBB1NPSR1MMP13MAPTUSP2
SCHEMBL6670110 1.00 TUBB1 (0.44) TUBB1NPSR1MMP13MAPTUSP2
SCHEMBL6806057 1.00 TUBB1 (0.44) TUBB1NPSR1MMP13MAPTUSP2
SCHEMBL6688285 0.91 TUBB1 (0.37) TUBB1NPSR1USP2
SCHEMBL6688291 0.91 TUBB1 (0.37) TUBB1NPSR1USP2
SCHEMBL6686823 0.88 TUBB1 (0.44) TUBB1MMP2MMP3
SCHEMBL13682586 0.85 TUBB1 (0.60) TUBB1MMP13STAT6AAK1
SCHEMBL57529 0.85 TUBB1 (0.60) TUBB1MMP13STAT6AAK1
SCHEMBL14210168 0.85 TUBB1 (0.60) TUBB1MMP13STAT6AAK1

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 1 patent. 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 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 199/4885NPSR1 1263/4885MMP13 293/4885

“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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