SCHEMBL6802822

SCHEMBL6802822

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

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.61
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ ADAM17 P78536 1/20 0.31
▸ CTSS P25774 2/20 0.30
▸ CTSL P07711 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ STAT6 P42226 2/20 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
Trifluoroacetic Acid SCHEMBL6806874 0.96 TUBB1 (0.57) TUBB1CTSSCTSL
SCHEMBL6801949 0.90 TUBB1 (0.62) TUBB1ALDH1A1MMP1
SCHEMBL6802182 0.88 TUBB1 (0.64) TUBB1MMP1ADAM17STAT6
SCHEMBL58638 0.87 TUBB1 (0.63) TUBB1ALDH1A1MAPTADAM17CTSS
SCHEMBL24574688 0.87 TUBB1 (0.59) TUBB1MMP1ADAM17
SCHEMBL6675641 0.87 TUBB1 (0.69) TUBB1MMP1ADAM17STAT6
SCHEMBL57908 0.87 TUBB1 (0.69) TUBB1MMP1ADAM17STAT6
SCHEMBL4367047 0.86 TUBB1 (0.68) TUBB1MMP1ADAM17STAT6
SCHEMBL4367059 0.86 TUBB1 (0.68) TUBB1MMP1ADAM17STAT6
SCHEMBL24409901 0.85 TUBB1 (0.57) 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 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 612/4885MAPT 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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