SCHEMBL4375104

SCHEMBL4375104

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)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.49
XIAP P98170 2/20 0.32
BIRC2 Q13490 5/20 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
CCR1 P32246 1/20 0.31
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL4852400 0.94 TUBB1 (0.49) TUBB1XIAPBIRC2BIRC3STAT6
SCHEMBL4378843 0.92 TUBB1 (0.55) TUBB1XIAPBIRC2BIRC3STAT6
SCHEMBL4539280 0.90 TUBB1 (0.51) TUBB1XIAPBIRC2BIRC3STAT6
Trifluoroacetic Acid SCHEMBL4375112 0.90 TUBB1 (0.51) TUBB1XIAPBIRC2BIRC3STAT6
Trifluoroacetic Acid SCHEMBL4375100 0.90 TUBB1 (0.51) TUBB1XIAPBIRC2BIRC3STAT6
SCHEMBL4368608 0.90 TUBB1 (0.50) TUBB1XIAPBIRC2BIRC3
SCHEMBL4380798 0.90 TUBB1 (0.54) TUBB1XIAPBIRC2BIRC3STAT6
SCHEMBL4364705 0.85 TUBB1 (0.54) TUBB1XIAPBIRC2BIRC3STAT6
SCHEMBL57912 0.84 TUBB1 (0.61) TUBB1XIAPBIRC2BIRC3STAT6
SCHEMBL58756 0.84 TUBB1 (0.61) TUBB1XIAPBIRC2BIRC3STAT6

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 588/4885XIAP 942/4885BIRC2 1688/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885XIAP 942/4885BIRC2 1688/4885

“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.