SCHEMBL9973469

SCHEMBL9973469

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.49
XIAP P98170 7/20 0.46
BIRC3 Q13489 2/20 0.46
BIRC2 Q13490 2/20 0.46
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CASP3 P42574 1/20 0.43
CTSL P07711 1/20 0.43
FKBP1A P62942 4/20 0.42
PREP P48147 2/20 0.40

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
SCHEMBL9973467 1.00 CASP1 (0.49) CASP1XIAPBIRC3BIRC2KMT2A
SCHEMBL31384817 1.00 CASP1 (0.49) CASP1XIAPBIRC3BIRC2KMT2A
SCHEMBL31384849 0.94 CASP1 (0.48) CASP1XIAPBIRC3BIRC2KMT2A
SCHEMBL31384833 0.88 CASP1 (0.46) CASP1XIAPBIRC2KMT2AL3MBTL1
SCHEMBL25873179 0.88 CASP1 (0.56) CASP1XIAPBIRC3BIRC2KMT2A
SCHEMBL9973474 0.88 CASP1 (0.54) CASP1XIAPBIRC3BIRC2KMT2A
SCHEMBL31384887 0.88 CASP1 (0.46) CASP1XIAPKMT2AL3MBTL1CASP3
SCHEMBL9973468 0.86 CASP1 (0.48) CASP1XIAPKMT2AL3MBTL1CASP3
SCHEMBL22515895 0.86 CASP1 (0.45) CASP1XIAPKMT2AL3MBTL1CASP3
SCHEMBL1299623 0.85 CASP1 (0.47) CASP1XIAPKMT2AL3MBTL1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185831-A1 STAT3 PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2022-06-16 US disclosed
WO-2020205467-A1 STAT3 PROTEIN DEGRADERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-10-08 WO disclosed
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-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
US-20080089896-A1 Bivalent SMAC mimetics and the uses thereof REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-04-17 US disclosed
WO-2007130626-A2 BIVALENT SMAC MIMETICS AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-11-15 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 (3 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-20220185831-A1 STAT3 PROTEIN DEGRADERS STAT3, JAK2, STAT5A CASP1 2478/4885XIAP 1955/4885BIRC3 4377/4885
US-20080089896-A1 Bivalent SMAC mimetics and the uses thereof BID, BAD, BIRC2 CASP1 189/4885XIAP 22/4885BIRC3 6/4885
US-20090123480-A1 BIVALENT SMAC MIMETICS AND THE USES THEREOF BID, BAD, BIRC2 CASP1 189/4885XIAP 22/4885BIRC3 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.