SCHEMBL5019965

SCHEMBL5019965

[2H]C([2H])(c1c(-c2[nH]c3cc(F)ccc3c2C([2H])([2H])[C@@H]2C[C@H](OC(C)=O)CN2C(=O)[C@@H](N)CC)[nH]c2cc(F)ccc12)[C@@H]1C[C@H](OC(C)=O)CN1C(=O)[C@@H](N)CC

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BIRC3 Q13489 15/20 0.46
XIAP P98170 12/20 0.46
BIRC2 Q13490 2/20 0.46
BIRC7 Q96CA5 1/20 0.46
TNF P01375 10/20 0.36

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
SCHEMBL12944780 0.91 BIRC3 (0.55) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL17277661 0.91 BIRC3 (0.55) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL949964 0.91 BIRC3 (0.55) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL12914213 0.91 BIRC3 (0.55) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL5019948 0.91 BIRC3 (0.55) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL12944751 0.89 BIRC3 (0.54) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL19054948 0.88 BIRC3 (0.52) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL12914214 0.84 BIRC3 (0.48) BIRC3XIAPBIRC2BIRC7TNF
SCHEMBL5019961 0.80 XIAP (0.37) BIRC3XIAPBIRC2BIRC7
SCHEMBL25461010 0.75 BIRC3 (0.60) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073579-A1 SMAC Mimetic TETRALOGIC PHARMACEUTICALS CORP. (US) 2014-03-13 US disclosed
US-20130012564-A1 SMAC Mimetic TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-01-10 US disclosed
US-8283372-B2 2-(1H-indol-3-ylmethyl)-pyrrolidine dimer as a SMAC mimetic TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-10-09 US disclosed
US-20120115922-A1 SMAC MIMETEC MEDIVIR AB (SE) 2012-05-10 US disclosed
US-20110003877-A1 SMAC Mimetic TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-01-06 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 (4 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-20130012564-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 BIRC3 14/4885XIAP 45/4885BIRC2 10/4885
US-20110003877-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 BIRC3 14/4885XIAP 45/4885BIRC2 10/4885
US-20120115922-A1 SMAC MIMETEC SMARCC1, SMARCC2, SMARCE1 BIRC3 30/4885XIAP 60/4885BIRC2 15/4885
US-20140073579-A1 SMAC Mimetic SMARCC1, SMARCC2, MCL1 BIRC3 14/4885XIAP 45/4885BIRC2 10/4885

“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.