SCHEMBL6806006

SCHEMBL6806006

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)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CTSD P07339 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CASP3 P42574 2/20 0.33
▸ MME P08473 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ CASP8 Q14790 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ PRCP P42785 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL6806449 0.95 TUBB1 (0.47) TUBB1ALDH1A1KMT2ACTSDMEN1
SCHEMBL13660111 0.92 TUBB1 (0.57) TUBB1ADAM17MMP1MMP9MMP14
SCHEMBL6806419 0.92 TUBB1 (0.57) TUBB1ADAM17MMP1MMP9MMP14
Trifluoroacetic Acid SCHEMBL6810659 0.87 TUBB1 (0.53) TUBB1ADAM17MMP1
SCHEMBL14233210 0.85 TUBB1 (0.48) TUBB1
SCHEMBL6800265 0.82 TUBB1 (0.68) TUBB1CTSDL3MBTL1MME
SCHEMBL6671030 0.82 TUBB1 (0.68) TUBB1CTSDL3MBTL1MME
SCHEMBL6806484 0.80 TUBB1 (0.55) TUBB1ALDH1A1CTSDADAM17L3MBTL1
SCHEMBL13660113 0.80 TUBB1 (0.43) TUBB1ADAM17MMP1MMP9MMP14
SCHEMBL16644131 0.79 TUBB1 (0.49) TUBB1ADAM17L3MBTL1MMP1

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 199/4885ALDH1A1 612/4885KMT2A 1114/4885

“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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