SCHEMBL820536

SCHEMBL820536

CO[C@H](C)[C@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(=O)N1CC[C@H](OC(C)=O)[C@H]1Cc1c[nH]c2cc(F)ccc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
ACHE P22303 2/20 0.31
BCHE P06276 1/20 0.31
XIAP P98170 1/20 0.30
BIRC3 Q13489 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL821708 0.91 DRD2 (0.32) PDE4DPDE4APDE4BPDE4CACHE
SCHEMBL820871 0.91 DRD2 (0.32) PDE4DPDE4APDE4BPDE4CACHE
SCHEMBL820692 0.89 SCN9A (0.35) PDE4DPDE4APDE4BPDE4C
SCHEMBL12405729 0.89 BIRC3 (0.39) XIAPBIRC3
SCHEMBL820535 0.88 DRD2 (0.31) PDE4DPDE4APDE4BPDE4CACHE
SCHEMBL820303 0.87 BIRC3 (0.34) XIAPBIRC3
SCHEMBL818120 0.87 BIRC3 (0.34) XIAPBIRC3
SCHEMBL823076 0.86 XIAP (0.41) XIAPBIRC3
SCHEMBL820292 0.80 SCN9A (0.37) PDE4DPDE4APDE4BPDE4C
SCHEMBL820694 0.80 HTR2A (0.37) PDE4DPDE4APDE4BPDE4CDRD2

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-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 US disclosed
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 US disclosed
WO-2009094287-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICAL CORPORATION (US) 2009-07-30 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 (1 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-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 PDE4D 3576/4885PDE4A 2788/4885PDE4B 2808/4885

“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.