SCHEMBL6806419

SCHEMBL6806419

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.57
▸ ADAM17 P78536 5/20 0.38
▸ MMP2 P08253 11/20 0.36
▸ MMP3 P08254 7/20 0.36
▸ MMP1 P03956 3/20 0.36
▸ TNF P01375 1/20 0.36
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP14 P50281 1/20 0.34

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
SCHEMBL13660111 1.00 TUBB1 (0.57) TUBB1ADAM17MMP2MMP3MMP1
Trifluoroacetic Acid SCHEMBL6810659 0.94 TUBB1 (0.53) TUBB1ADAM17MMP2MMP3MMP1
SCHEMBL6806006 0.92 TUBB1 (0.50) TUBB1ADAM17MMP1MMP9MMP14
SCHEMBL14233210 0.88 TUBB1 (0.48) TUBB1
Trifluoroacetic Acid SCHEMBL6806449 0.87 TUBB1 (0.47) TUBB1ADAM17MMP1MMP9MMP14
SCHEMBL16644131 0.86 TUBB1 (0.49) TUBB1ADAM17MMP2MMP3MMP1
SCHEMBL13751416 0.86 TUBB1 (0.48) TUBB1ADAM17MMP2MMP3MMP1
SCHEMBL14567809 0.86 TUBB1 (0.48) TUBB1ADAM17MMP2MMP3MMP1
SCHEMBL57849 0.86 TUBB1 (0.48) TUBB1ADAM17MMP2MMP3MMP1
SCHEMBL6805190 0.85 TUBB1 (0.53) TUBB1ADAM17MMP2MMP3MMP1

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 199/4885ADAM17 1762/4885MMP2 224/4885

“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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