SCHEMBL9973548

SCHEMBL9973548

CC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)OCc3ccccc3)C[C@H](NC(=O)OC(C)(C)C)C(=O)N21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XIAP P98170 10/20 0.47
BIRC2 Q13490 10/20 0.47
CASP1 P29466 2/20 0.46
PDE4B Q07343 1/20 0.45
BIRC3 Q13489 9/20 0.44
BIRC8 Q96P09 2/20 0.44
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL9973505 0.94 XIAP (0.48) XIAPBIRC2CASP1PDE4BBIRC3
SCHEMBL9975084 0.94 XIAP (0.48) XIAPBIRC2CASP1PDE4BBIRC3
SCHEMBL9973500 0.93 XIAP (0.47) XIAPBIRC2CASP1PDE4BBIRC3
SCHEMBL9973551 0.92 XIAP (0.46) XIAPBIRC2CASP1PDE4BBIRC3
SCHEMBL9973493 0.92 XIAP (0.46) XIAPBIRC2CASP1PDE4BBIRC3
SCHEMBL9975058 0.89 XIAP (0.48) XIAPBIRC2CASP1PDE4BBIRC3
SCHEMBL9973550 0.89 BIRC2 (0.59) XIAPBIRC2BIRC3BIRC8
SCHEMBL9973504 0.89 BIRC2 (0.59) XIAPBIRC2BIRC3BIRC8
SCHEMBL31152839 0.89 XIAP (0.44) XIAPBIRC2CASP1PDE4BBIRC3
SCHEMBL12851921 0.88 XIAP (0.47) XIAPBIRC2CASP1PDE4BBIRC3

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 3 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-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 XIAP 22/4885BIRC2 3/4885CASP1 189/4885
US-20090123480-A1 BIVALENT SMAC MIMETICS AND THE USES THEREOF BID, BAD, BIRC2 XIAP 22/4885BIRC2 3/4885CASP1 189/4885

“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.