SCHEMBL4380969

SCHEMBL4380969

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

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.57
STAT6 P42226 1/20 0.30
MME P08473 1/20 0.30
ACE P12821 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
SCHEMBL4380970 1.00 TUBB1 (0.57) TUBB1STAT6MMEACE
SCHEMBL4380964 1.00 TUBB1 (0.57) TUBB1STAT6MMEACE
SCHEMBL88423 0.88 TUBB1 (0.45) TUBB1
SCHEMBL57412 0.88 TUBB1 (0.45) TUBB1
SCHEMBL57188 0.85 TUBB1 (0.43) TUBB1
SCHEMBL88275 0.85 TUBB1 (0.43) TUBB1
SCHEMBL88219 0.85 TUBB1 (0.43) TUBB1STAT6
SCHEMBL57972 0.84 TUBB1 (0.46) TUBB1
SCHEMBL88425 0.84 TUBB1 (0.46) TUBB1
SCHEMBL13681890 0.84 TUBB1 (0.46) 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
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 WO 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 588/4885STAT6 972/4885MME 3145/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885STAT6 972/4885MME 3145/4885

“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.