SCHEMBL22386754

SCHEMBL22386754

CC(C)(C)C(=O)c1ccc(OCC2CC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.46
PDE4D Q08499 4/20 0.46
PDE4A P27815 3/20 0.46
PDE4C Q08493 3/20 0.46
FFAR1 O14842 4/20 0.43
PPARD Q03181 4/20 0.43
SLC6A9 P48067 2/20 0.42
PARP15 Q460N3 2/20 0.41
PARP10 Q53GL7 2/20 0.41
PARP2 Q9UGN5 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
FFAR4 Q5NUL3 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
SCHEMBL22386751 0.91 P2RX4 (0.48) PDE4BPDE4DPDE4APDE4CFFAR1
SCHEMBL18374460 0.89 PDE4B (0.46) PDE4BPDE4DPDE4APDE4CPARP15
SCHEMBL20463367 0.85 SLC6A9 (0.53) PDE4BPDE4DPDE4APDE4CFFAR1
SCHEMBL22386744 0.84 PDE4B (0.55) PDE4BPDE4DPDE4APDE4C
SCHEMBL15968784 0.83 LMNA (0.55) PDE4BPDE4DPDE4APDE4CFFAR1
SCHEMBL1861841 0.82 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CSLC6A9
SCHEMBL15968595 0.82 PDE4B (0.46) PDE4BPDE4DPDE4APDE4CFFAR1
SCHEMBL22837047 0.81 THRA (0.43) PDE4D
SCHEMBL10148081 0.78 MAP4K4 (0.54) PDE4BPDE4DPDE4APDE4CPARP15
SCHEMBL22386752 0.78 HTT (0.48) PDE4DFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11208397-B2 Small molecule antagonists of sumo related modification of CRMP2 and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-12-28 US disclosed
US-20200277271-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-09-03 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-11208397-B2 Small molecule antagonists of sumo related modification of CRMP2 and uses thereof SUMO2, SUMO1, SUMO3 PDE4B 3258/4885PDE4D 3714/4885PDE4A 3416/4885
US-20200277271-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF SUMO2, SUMO1, SUMO3 PDE4B 3258/4885PDE4D 3714/4885PDE4A 3416/4885

“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.