SCHEMBL6686823

SCHEMBL6686823

CCCC[C@@H](/C=C(\C)C(=O)O)N(C)C(=O)[C@@H](NC(=O)[C@@H](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 5)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.44
▸ MMP2 P08253 10/20 0.38
▸ MMP3 P08254 10/20 0.38
▸ PDF Q9HBH1 3/20 0.37
▸ CTSK P43235 3/20 0.35

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
SCHEMBL6801716 0.92 TUBB1 (0.37) TUBB1MMP2MMP3PDFCTSK
SCHEMBL6672740 0.88 TUBB1 (0.44) TUBB1MMP2MMP3
SCHEMBL6670110 0.88 TUBB1 (0.44) TUBB1MMP2MMP3
SCHEMBL6672739 0.88 TUBB1 (0.44) TUBB1MMP2MMP3
SCHEMBL6806060 0.88 TUBB1 (0.44) TUBB1MMP2MMP3
SCHEMBL6806057 0.88 TUBB1 (0.44) TUBB1MMP2MMP3
SCHEMBL6675861 0.87 TUBB1 (0.38) TUBB1MMP2MMP3PDFCTSK
SCHEMBL6675857 0.87 TUBB1 (0.38) TUBB1MMP2MMP3PDFCTSK
SCHEMBL6675866 0.87 TUBB1 (0.38) TUBB1MMP2MMP3PDFCTSK
SCHEMBL6670635 0.85 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 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 199/4885MMP2 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.

Send feedback