SCHEMBL12852008

SCHEMBL12852008

C[C@@H](C(=O)N[C@H]1CNCC[C@H]2CC[C@@H](C(=O)NC3CCCc4ccccc43)N2C1=O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XIAP P98170 19/20 0.58
BIRC2 Q13490 8/20 0.58
BIRC3 Q13489 7/20 0.58
BIRC8 Q96P09 1/20 0.49
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL15494083 1.00 XIAP (0.58) XIAPBIRC2BIRC3BIRC8MEN1
SCHEMBL9609060 0.92 XIAP (0.67) XIAPBIRC2BIRC3MEN1HTT
SCHEMBL3726112 0.92 XIAP (0.67) XIAPBIRC2BIRC3MEN1HTT
SCHEMBL27274363 0.87 XIAP (0.50) XIAPBIRC2BIRC3BIRC8
SCHEMBL12851912 0.84 XIAP (0.70) XIAPBIRC2BIRC3BIRC8
SCHEMBL9973499 0.84 XIAP (0.70) XIAPBIRC2BIRC3BIRC8
SCHEMBL19107325 0.83 XIAP (0.54) XIAPBIRC2BIRC3MEN1HTT
SCHEMBL17211521 0.83 XIAP (0.54) XIAPBIRC2BIRC3MEN1HTT
SCHEMBL15759005 0.83 XIAP (0.54) XIAPBIRC2BIRC3MEN1HTT
SCHEMBL18651788 0.83 XIAP (0.54) XIAPBIRC2BIRC3MEN1HTT

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-8664212-B2 Diazo bicyclic Smac mimetics and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-03-04 US disclosed
US-20120309961-A1 DIAZO BICYCLIC SMAC MIMETICS AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-12-06 US disclosed
US-8278293-B2 Diazo bicyclic Smac mimetics and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-02 US disclosed
US-20100273812-A1 DIAZO BICYCLIC SMAC MIMETICS AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-10-28 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-20100273812-A1 DIAZO BICYCLIC SMAC MIMETICS AND THE USES THEREOF BID, BAD, AIFM1 XIAP 25/4885BIRC2 7/4885BIRC3 6/4885
US-20120309961-A1 DIAZO BICYCLIC SMAC MIMETICS AND THE USES THEREOF BID, BAD, AIFM1 XIAP 25/4885BIRC2 7/4885BIRC3 6/4885

“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.