SCHEMBL9973474

SCHEMBL9973474

CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)OCc3ccccc3)N2C1=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.54
XIAP P98170 7/20 0.50
FKBP1A P62942 6/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ACE P12821 1/20 0.45
BIRC3 Q13489 1/20 0.44
BIRC2 Q13490 1/20 0.44
BIRC8 Q96P09 1/20 0.44
CTSL P07711 1/20 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
SCHEMBL25873179 0.98 CASP1 (0.56) CASP1XIAPFKBP1AKMT2AL3MBTL1
SCHEMBL9973468 0.89 CASP1 (0.48) CASP1XIAPFKBP1AKMT2AL3MBTL1
SCHEMBL31384849 0.89 CASP1 (0.48) CASP1XIAPFKBP1AKMT2AL3MBTL1
SCHEMBL9973466 0.89 CASP1 (0.48) CASP1XIAPFKBP1AKMT2AL3MBTL1
SCHEMBL9973467 0.88 CASP1 (0.49) CASP1XIAPFKBP1AKMT2AL3MBTL1
SCHEMBL31384817 0.88 CASP1 (0.49) CASP1XIAPFKBP1AKMT2AL3MBTL1
SCHEMBL9973469 0.88 CASP1 (0.49) CASP1XIAPFKBP1AKMT2AL3MBTL1
SCHEMBL1299624 0.88 CASP1 (0.47) CASP1XIAPFKBP1AKMT2AL3MBTL1
SCHEMBL19199495 0.88 CASP1 (0.47) CASP1XIAPFKBP1AKMT2AL3MBTL1
SCHEMBL1299623 0.88 CASP1 (0.47) CASP1XIAPFKBP1AKMT2AL3MBTL1

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-8202902-B2 Bivalent SMAC mimetics and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-06-19 US disclosed
US-7960372-B2 Inhibitors of apoptosis proteins; antiproliferative agents; kits THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-06-14 US disclosed
US-20090123480-A1 BIVALENT SMAC MIMETICS AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-14 US disclosed
US-20080089896-A1 Bivalent SMAC mimetics and the uses thereof REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-04-17 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-20080089896-A1 Bivalent SMAC mimetics and the uses thereof BID, BAD, BIRC2 CASP1 189/4885XIAP 22/4885FKBP1A 2896/4885
US-20090123480-A1 BIVALENT SMAC MIMETICS AND THE USES THEREOF BID, BAD, BIRC2 CASP1 189/4885XIAP 22/4885FKBP1A 2896/4885

“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.