SCHEMBL6804951

SCHEMBL6804951

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

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.64
CTSL P07711 6/20 0.39
CTSB P07858 5/20 0.39
CTSS P25774 4/20 0.39
CTSK P43235 3/20 0.39
ANPEP P15144 1/20 0.35
ADAM17 P78536 5/20 0.35
MMP1 P03956 1/20 0.35
MME P08473 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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 SCHEMBL6806455 0.96 TUBB1 (0.59) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL6810366 0.92 TUBB1 (0.65) TUBB1MME
SCHEMBL6670644 0.90 TUBB1 (0.63) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL6804948 0.90 TUBB1 (0.63) TUBB1CTSKMMP1MME
SCHEMBL6670636 0.90 TUBB1 (0.63) TUBB1CTSLCTSBCTSSCTSK
Hydrochloric Acid SCHEMBL6807323 0.89 TUBB1 (0.62) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL6809674 0.89 TUBB1 (0.62) TUBB1MMP1
SCHEMBL6675810 0.88 TUBB1 (0.61) TUBB1CTSSCTSKMMP1
Hydrochloric Acid SCHEMBL6807319 0.88 TUBB1 (0.61) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL6675817 0.88 TUBB1 (0.61) TUBB1CTSSCTSKMMP1

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.