SCHEMBL4364705

SCHEMBL4364705

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)c1cccc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.54
BIRC2 Q13490 5/20 0.34
XIAP P98170 2/20 0.34
BIRC3 Q13489 1/20 0.34
CTSD P07339 3/20 0.33
CTSE P14091 3/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX5 P09917 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
BACE1 P56817 2/20 0.32
STAT6 P42226 1/20 0.32
KLK5 Q9Y337 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
SCHEMBL4377498 0.94 TUBB1 (0.56) TUBB1BIRC2XIAPBIRC3CTSD
SCHEMBL4378843 0.93 TUBB1 (0.55) TUBB1BIRC2XIAPBIRC3CTSD
SCHEMBL4371716 0.93 TUBB1 (0.54) TUBB1BIRC2XIAPBIRC3ALDH1A1
SCHEMBL57941 0.93 TUBB1 (0.61) TUBB1BIRC2XIAPBIRC3CTSD
SCHEMBL58756 0.93 TUBB1 (0.61) TUBB1BIRC2XIAPBIRC3CTSD
SCHEMBL57912 0.93 TUBB1 (0.61) TUBB1BIRC2XIAPBIRC3CTSD
SCHEMBL4366593 0.93 TUBB1 (0.61) TUBB1BIRC2XIAPBIRC3CTSD
SCHEMBL4374143 0.92 TUBB1 (0.57) TUBB1BIRC2XIAPBIRC3CTSD
SCHEMBL4852400 0.92 TUBB1 (0.49) TUBB1BIRC2XIAPBIRC3ALDH1A1
SCHEMBL4377444 0.91 TUBB1 (0.58) TUBB1BIRC2XIAPBIRC3CTSD

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 4 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
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.