SCHEMBL6672738

SCHEMBL6672738

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.47
▸ USP2 O75604 2/20 0.34
▸ MAPT P10636 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 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
SCHEMBL6806052 1.00 TUBB1 (0.47) TUBB1USP2MAPTL3MBTL1NPSR1
SCHEMBL6688280 0.92 TUBB1 (0.39) TUBB1USP2L3MBTL1
SCHEMBL6805382 0.86 TUBB1 (0.59) TUBB1MMP1MMP2MMP3
SCHEMBL6672740 0.85 TUBB1 (0.44) TUBB1USP2MAPTL3MBTL1NPSR1
SCHEMBL6670110 0.85 TUBB1 (0.44) TUBB1USP2MAPTL3MBTL1NPSR1
SCHEMBL6806060 0.85 TUBB1 (0.44) TUBB1USP2MAPTL3MBTL1NPSR1
SCHEMBL6806057 0.85 TUBB1 (0.44) TUBB1USP2MAPTL3MBTL1NPSR1
SCHEMBL6672739 0.85 TUBB1 (0.44) TUBB1USP2MAPTL3MBTL1NPSR1
SCHEMBL6672986 0.83 TUBB1 (0.54) TUBB1USP2MAPT
SCHEMBL6675854 0.82 TUBB1 (0.40) TUBB1

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 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 199/4885USP2 1679/4885MAPT 4461/4885

“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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