SCHEMBL4539280

SCHEMBL4539280

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@H]1C(=O)OC(=O)C(F)(F)F)C(C)C)C(C)(C)C)C(C)(C)c1ccc(C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.51
BIRC2 Q13490 5/20 0.31
XIAP P98170 1/20 0.31
BIRC3 Q13489 1/20 0.31
STAT6 P42226 2/20 0.31
STAT5A P42229 1/20 0.31
STAT5B P51692 1/20 0.31
CYP3A4 P08684 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
SCHEMBL4368608 0.93 TUBB1 (0.50) TUBB1BIRC2XIAPBIRC3CYP3A4
SCHEMBL4852400 0.93 TUBB1 (0.49) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL4374143 0.92 TUBB1 (0.57) TUBB1BIRC2XIAPBIRC3CYP3A4
SCHEMBL4375104 0.90 TUBB1 (0.49) TUBB1BIRC2XIAPBIRC3STAT6
Trifluoroacetic Acid SCHEMBL4539290 0.90 TUBB1 (0.53) TUBB1BIRC2XIAPBIRC3STAT6
Trifluoroacetic Acid SCHEMBL4539273 0.90 TUBB1 (0.53) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL4366570 0.89 TUBB1 (0.56) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL4377498 0.85 TUBB1 (0.56) TUBB1BIRC2XIAPBIRC3CYP3A4
SCHEMBL4364705 0.84 TUBB1 (0.54) TUBB1BIRC2XIAPBIRC3STAT6
Trifluoroacetic Acid SCHEMBL4368615 0.83 TUBB1 (0.52) TUBB1BIRC2XIAPBIRC3STAT6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US disclosed
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 WO disclosed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 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 (2 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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS RB1, MRPL9, BCOR TUBB1 588/4885BIRC2 1688/4885XIAP 942/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885BIRC2 1688/4885XIAP 942/4885

“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.