SCHEMBL4377498

SCHEMBL4377498

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)c1cc(C)cc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.56
CYP3A4 P08684 6/20 0.33
CYP2C9 P11712 2/20 0.33
XIAP P98170 2/20 0.33
CYP2C19 P33261 1/20 0.33
BIRC2 Q13490 5/20 0.33
CTSD P07339 3/20 0.33
CTSE P14091 3/20 0.33
BIRC3 Q13489 1/20 0.33
FKBP1A P62942 2/20 0.33
BACE1 P56817 2/20 0.32
KLK5 Q9Y337 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL4364705 0.94 TUBB1 (0.54) TUBB1CYP3A4CYP2C9XIAPCYP2C19
SCHEMBL4374143 0.93 TUBB1 (0.57) TUBB1CYP3A4CYP2C9XIAPCYP2C19
SCHEMBL4371827 0.92 TUBB1 (0.55) TUBB1CYP3A4CYP2C9XIAPCYP2C19
SCHEMBL57912 0.92 TUBB1 (0.61) TUBB1CYP3A4XIAPBIRC2CTSD
SCHEMBL57941 0.92 TUBB1 (0.61) TUBB1CYP3A4XIAPBIRC2CTSD
SCHEMBL4366593 0.92 TUBB1 (0.61) TUBB1CYP3A4XIAPBIRC2CTSD
SCHEMBL58756 0.92 TUBB1 (0.61) TUBB1CYP3A4XIAPBIRC2CTSD
SCHEMBL4368608 0.91 TUBB1 (0.50) TUBB1CYP3A4CYP2C9XIAPCYP2C19
SCHEMBL4377444 0.90 TUBB1 (0.58) TUBB1XIAPBIRC2CTSDCTSE
SCHEMBL4378843 0.89 TUBB1 (0.55) TUBB1CYP3A4CYP2C9XIAPCYP2C19

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 588/4885CYP3A4 3441/4885CYP2C9 1243/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885CYP3A4 3441/4885CYP2C9 1243/4885

“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.