SCHEMBL823079

SCHEMBL823079

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H](O)[C@H]1Cc1c(Cl)[nH]c2cc(F)ccc12)[C@@H](C)OC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BIRC3 Q13489 14/20 0.47
XIAP P98170 10/20 0.47
BIRC2 Q13490 1/20 0.47
BIRC7 Q96CA5 1/20 0.47
TNF P01375 12/20 0.44

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
SCHEMBL819547 1.00 BIRC3 (0.47) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL15501164 0.92 BIRC3 (0.55) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL12405737 0.92 BIRC3 (0.55) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL13787031 0.85 XIAP (0.42) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL818938 0.85 XIAP (0.42) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL818939 0.85 XIAP (0.42) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL15501163 0.82 BIRC3 (0.51) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL10109956 0.82 BIRC3 (0.51) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL14304341 0.82 BIRC3 (0.51) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL12405733 0.82 BIRC3 (0.51) BIRC3XIAPBIRC2BIRC7TNF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 US disclosed
WO-2009094287-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICAL CORPORATION (US) 2009-07-30 WO 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 (1 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-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 BIRC3 6/4885XIAP 1/4885BIRC2 4/4885

“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.