SCHEMBL820543

SCHEMBL820543

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BIRC3 Q13489 8/20 0.34
XIAP P98170 6/20 0.34
BIRC2 Q13490 1/20 0.33
BIRC7 Q96CA5 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33
TNF P01375 7/20 0.33
PRCP P42785 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 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
SCHEMBL819050 1.00 BIRC3 (0.34) BIRC3XIAPBIRC2BIRC7CYP3A4
SCHEMBL12405720 0.93 BIRC3 (0.39) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL15501147 0.93 BIRC3 (0.39) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL12474013 0.90 BIRC3 (0.38) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL818120 0.90 BIRC3 (0.34) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL820303 0.90 BIRC3 (0.34) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL818119 0.90 BIRC3 (0.37) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL10109908 0.88 BIRC3 (0.47) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL820692 0.86 SCN9A (0.35)
SCHEMBL820542 0.85 BIRC3 (0.33) 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 3 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
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.