SCHEMBL6802182

SCHEMBL6802182

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

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.64
▸ MMP2 P08253 13/20 0.33
▸ MMP3 P08254 5/20 0.33
▸ MMP1 P03956 1/20 0.32
▸ ADAM17 P78536 1/20 0.32
▸ STAT6 P42226 2/20 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 SCHEMBL6809618 0.96 TUBB1 (0.60) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL58638 0.90 TUBB1 (0.63) TUBB1MMP2MMP3ADAM17
SCHEMBL57908 0.90 TUBB1 (0.69) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL6675641 0.90 TUBB1 (0.69) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL6801949 0.90 TUBB1 (0.62) TUBB1MMP2MMP3MMP1
SCHEMBL4367059 0.89 TUBB1 (0.68) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL4367047 0.89 TUBB1 (0.68) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL4369892 0.88 TUBB1 (0.67) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL4369885 0.88 TUBB1 (0.67) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL6802822 0.88 TUBB1 (0.61) TUBB1MMP1ADAM17STAT6

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 199/4885MMP2 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.

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