SCHEMBL4371827

SCHEMBL4371827

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)c1cc(C)cc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.55
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
BIRC2 Q13490 5/20 0.32
XIAP P98170 2/20 0.32
BIRC3 Q13489 1/20 0.32
CYP3A4 P08684 3/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 1/20 0.31
STAT6 P42226 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA5 P08648 1/20 0.31
ITGA4 P13612 1/20 0.31
NTSR2 O95665 1/20 0.31
NTSR1 P30989 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 SCHEMBL4368603 0.96 TUBB1 (0.52) TUBB1ALDH1A1HPGDBIRC2XIAP
Trifluoroacetic Acid SCHEMBL4368615 0.96 TUBB1 (0.52) TUBB1ALDH1A1HPGDBIRC2XIAP
SCHEMBL4371716 0.93 TUBB1 (0.54) TUBB1ALDH1A1BIRC2XIAPBIRC3
SCHEMBL4366570 0.93 TUBB1 (0.56) TUBB1ALDH1A1HPGDBIRC2XIAP
SCHEMBL4377498 0.92 TUBB1 (0.56) TUBB1ALDH1A1BIRC2XIAPBIRC3
SCHEMBL58688 0.92 TUBB1 (0.59) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL4368595 0.92 TUBB1 (0.59) TUBB1BIRC2XIAPBIRC3STAT6
Trifluoroacetic Acid SCHEMBL4852391 0.90 TUBB1 (0.51) TUBB1BIRC2XIAPBIRC3STAT6
Trifluoroacetic Acid SCHEMBL4852413 0.90 TUBB1 (0.51) TUBB1BIRC2XIAPBIRC3STAT6
SCHEMBL4371788 0.90 TUBB1 (0.57) 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 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 588/4885ALDH1A1 367/4885HPGD 3810/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885ALDH1A1 367/4885HPGD 3810/4885

“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.