SCHEMBL13617237

SCHEMBL13617237

CC(C)(C)C(=O)O[C@H]1CCOC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.40
ELANE P08246 1/20 0.37
PDE4A P27815 5/20 0.33
PDE4B Q07343 5/20 0.33
PDE4C Q08493 5/20 0.33
CTSL P07711 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CYP19A1 P11511 1/20 0.31
KAT2B Q92831 1/20 0.30
BAZ2B Q9UIF8 1/20 0.30
RIPK1 Q13546 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
SCHEMBL6840506 1.00 PDE4D (0.40) PDE4DELANEPDE4APDE4BPDE4C
SCHEMBL14254009 0.88 ELANE (0.42) PDE4DELANENPC1HTTRAB9A
SCHEMBL22413581 0.85 PDE4D (0.36) PDE4DELANEPDE4APDE4BPDE4C
SCHEMBL16407780 0.84 ATM (0.31) CYP19A1
SCHEMBL13563616 0.82 PDE4D (0.35) PDE4DELANEPDE4APDE4BPDE4C
SCHEMBL4666526 0.81 PDE4D (0.36) PDE4DPDE4APDE4BPDE4C
SCHEMBL13617234 0.80
SCHEMBL18897949 0.80 PDE4D (0.34) PDE4DELANEPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL4665000 0.80 PDE4D (0.36) PDE4DPDE4APDE4BPDE4C
SCHEMBL8224670 0.78

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-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 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 (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-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 PDE4D 3761/4885ELANE 120/4885PDE4A 3727/4885

“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.