SCHEMBL9973468

SCHEMBL9973468

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.48
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FKBP1A P62942 4/20 0.42
SCN9A Q15858 4/20 0.42
CTSL P07711 1/20 0.41
XIAP P98170 4/20 0.41
CASP3 P42574 1/20 0.40
NPY1R P25929 1/20 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
SCHEMBL9973466 0.93 CASP1 (0.48) CASP1KMT2AL3MBTL1FKBP1ASCN9A
SCHEMBL25873179 0.89 CASP1 (0.56) CASP1KMT2AL3MBTL1FKBP1ACTSL
SCHEMBL9973474 0.89 CASP1 (0.54) CASP1KMT2AL3MBTL1FKBP1ACTSL
SCHEMBL31384817 0.86 CASP1 (0.49) CASP1KMT2AL3MBTL1FKBP1ACTSL
SCHEMBL9973467 0.86 CASP1 (0.49) CASP1KMT2AL3MBTL1FKBP1ACTSL
SCHEMBL9973469 0.86 CASP1 (0.49) CASP1KMT2AL3MBTL1FKBP1ACTSL
SCHEMBL1299624 0.86 CASP1 (0.47) CASP1KMT2AL3MBTL1FKBP1ACTSL
SCHEMBL19199495 0.86 CASP1 (0.47) CASP1KMT2AL3MBTL1FKBP1ACTSL
SCHEMBL19194321 0.86 CASP1 (0.47) CASP1KMT2AL3MBTL1FKBP1ACTSL
SCHEMBL1299623 0.86 CASP1 (0.47) CASP1KMT2AL3MBTL1FKBP1ACTSL

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 189/4885KMT2A 1411/4885L3MBTL1 788/4885
US-20090123480-A1 BIVALENT SMAC MIMETICS AND THE USES THEREOF BID, BAD, BIRC2 CASP1 189/4885KMT2A 1411/4885L3MBTL1 788/4885

“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.