SCHEMBL4377444

SCHEMBL4377444

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCCC[C@H]1C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.58
▸ FKBP1A P62942 8/20 0.38
▸ BIRC2 Q13490 5/20 0.35
▸ XIAP P98170 1/20 0.35
▸ BIRC3 Q13489 1/20 0.35
▸ STAT6 P42226 2/20 0.34
▸ KLK5 Q9Y337 1/20 0.34
▸ ELANE P08246 1/20 0.33
▸ CTSD P07339 1/20 0.33
▸ CTSE P14091 1/20 0.33

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
SCHEMBL57941 0.98 TUBB1 (0.61) TUBB1FKBP1ABIRC2XIAPBIRC3
SCHEMBL57912 0.98 TUBB1 (0.61) TUBB1FKBP1ABIRC2XIAPBIRC3
SCHEMBL58756 0.98 TUBB1 (0.61) TUBB1FKBP1ABIRC2XIAPBIRC3
SCHEMBL4366593 0.98 TUBB1 (0.61) TUBB1FKBP1ABIRC2XIAPBIRC3
SCHEMBL4371788 0.93 TUBB1 (0.57) TUBB1FKBP1ABIRC2XIAPBIRC3
SCHEMBL58688 0.91 TUBB1 (0.59) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL4368595 0.91 TUBB1 (0.59) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL4364705 0.91 TUBB1 (0.54) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL4377498 0.90 TUBB1 (0.56) TUBB1FKBP1ABIRC2XIAPBIRC3
SCHEMBL14185880 0.90 TUBB1 (0.58) 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 588/4885FKBP1A 3704/4885BIRC2 1688/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885FKBP1A 3704/4885BIRC2 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.

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