SCHEMBL6801150

SCHEMBL6801150

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

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.63
CTSL P07711 4/20 0.38
CTSB P07858 3/20 0.38
CTSS P25774 3/20 0.38
CTSK P43235 2/20 0.38
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
ANPEP P15144 1/20 0.31
CTSD P07339 1/20 0.31
STAT6 P42226 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31
FPR2 P25090 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
SCHEMBL6801142 1.00 TUBB1 (0.63) TUBB1CTSLCTSBCTSSCTSK
Trifluoroacetic Acid SCHEMBL6806094 0.96 TUBB1 (0.58) TUBB1CTSLCTSBCTSSCTSK
Trifluoroacetic Acid SCHEMBL6806092 0.96 TUBB1 (0.58) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL6800265 0.92 TUBB1 (0.68) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL6671030 0.92 TUBB1 (0.68) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL6805488 0.90 TUBB1 (0.66) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL6810366 0.89 TUBB1 (0.65) TUBB1STAT6
SCHEMBL58794 0.88 TUBB1 (0.69) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL13682038 0.88 TUBB1 (0.69) TUBB1CTSLCTSBCTSSCTSK
Trifluoroacetic Acid SCHEMBL6806056 0.87 TUBB1 (0.63) TUBB1CTSLCTSBCTSSCTSK

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.