SCHEMBL6806484

SCHEMBL6806484

CCN(C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)(C)c1ccccc1)C(C)C)[C@H](/C=C(\C)C(=O)O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.55
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MME P08473 1/20 0.31
▸ CTSD P07339 1/20 0.31
▸ ADAM17 P78536 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 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 SCHEMBL6915726 0.96 TUBB1 (0.51) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL6806627 0.91 TUBB1 (0.63) TUBB1ADAM17
SCHEMBL6671030 0.87 TUBB1 (0.68) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL6800265 0.87 TUBB1 (0.68) TUBB1CTSLCTSBCTSSCTSK
Trifluoroacetic Acid SCHEMBL6806883 0.87 TUBB1 (0.59) TUBB1ADAM17
Trifluoroacetic Acid SCHEMBL6806056 0.83 TUBB1 (0.63) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL6801142 0.83 TUBB1 (0.63) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL6801150 0.83 TUBB1 (0.63) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL6805488 0.82 TUBB1 (0.66) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL6810366 0.81 TUBB1 (0.65) TUBB1MME

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 199/4885CTSL 2059/4885CTSB 756/4885

“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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