SCHEMBL4374127

SCHEMBL4374127

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)C(C)C)C(C)(C)C)C(C)(C)C1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.71
FKBP1A P62942 5/20 0.38
STAT6 P42226 2/20 0.32
PEPD P12955 1/20 0.31
BIRC2 Q13490 5/20 0.31
XIAP P98170 2/20 0.31
BIRC3 Q13489 1/20 0.31
CYP3A4 P08684 2/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4376460 0.92 TUBB1 (0.76) TUBB1STAT6PEPDBIRC2XIAP
SCHEMBL4377498 0.85 TUBB1 (0.56) TUBB1FKBP1ABIRC2XIAPBIRC3
SCHEMBL4366593 0.85 TUBB1 (0.61) TUBB1FKBP1ASTAT6BIRC2XIAP
SCHEMBL57941 0.85 TUBB1 (0.61) TUBB1FKBP1ASTAT6BIRC2XIAP
SCHEMBL58756 0.85 TUBB1 (0.61) TUBB1FKBP1ASTAT6BIRC2XIAP
SCHEMBL57912 0.85 TUBB1 (0.61) TUBB1FKBP1ASTAT6BIRC2XIAP
SCHEMBL4377444 0.84 TUBB1 (0.58) TUBB1FKBP1ASTAT6BIRC2XIAP
SCHEMBL22309221 0.84 TUBB1 (1.00) TUBB1
SCHEMBL20732343 0.84 TUBB1 (1.00) TUBB1
SCHEMBL22308460 0.84 TUBB1 (1.00) TUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US claimed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 US claimed
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 588/4885FKBP1A 3704/4885STAT6 972/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885FKBP1A 3704/4885STAT6 972/4885

“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.