SCHEMBL4371716

SCHEMBL4371716

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1cccc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.54
BIRC2 Q13490 5/20 0.33
XIAP P98170 1/20 0.33
BIRC3 Q13489 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA5 P08648 1/20 0.33
ITGA4 P13612 1/20 0.33
STAT6 P42226 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ELANE P08246 1/20 0.32
GAA P10253 1/20 0.32
STAT5A P42229 1/20 0.31
STAT5B P51692 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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 SCHEMBL4852413 0.97 TUBB1 (0.51) TUBB1BIRC2XIAPBIRC3STAT6
Trifluoroacetic Acid SCHEMBL4852391 0.97 TUBB1 (0.51) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL4371827 0.93 TUBB1 (0.55) TUBB1BIRC2XIAPBIRC3ITGB3
SCHEMBL58688 0.93 TUBB1 (0.59) TUBB1BIRC2XIAPBIRC3ITGB3
SCHEMBL4368595 0.93 TUBB1 (0.59) TUBB1BIRC2XIAPBIRC3ITGB3
SCHEMBL4364705 0.93 TUBB1 (0.54) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL4380798 0.93 TUBB1 (0.54) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL4366570 0.92 TUBB1 (0.56) TUBB1BIRC2XIAPBIRC3ITGB3
SCHEMBL4371788 0.91 TUBB1 (0.57) TUBB1BIRC2XIAPBIRC3ITGB3
Trifluoroacetic Acid SCHEMBL4368615 0.90 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.