SCHEMBL22386751

SCHEMBL22386751

CC(C)(C)C(=O)c1ccc(OCC2CCOCC2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 8/20 0.48
PDE4D Q08499 2/20 0.48
SCN9A Q15858 1/20 0.45
XDH P47989 1/20 0.43
BRD4 O60885 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PTGER1 P34995 1/20 0.39
SLC2A1 P11166 1/20 0.39
RORC P51449 1/20 0.38
FFAR1 O14842 1/20 0.37
PPARD Q03181 1/20 0.37

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
SCHEMBL22386754 0.91 PDE4B (0.46) PDE4DPDE4APDE4BPDE4CFFAR1
SCHEMBL20463368 0.86 SCN9A (0.47) P2RX4PDE4DSCN9AXDHBRD4
SCHEMBL22386749 0.86 PDE4D (0.48) P2RX4PDE4DXDHBRD4ALDH1A1
SCHEMBL22386785 0.83 SCN9A (0.45) P2RX4PDE4DSCN9AXDHBRD4
SCHEMBL18374460 0.81 PDE4B (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL22386747 0.80 PARP15 (0.52) PDE4DSLC2A1RORC
SCHEMBL20463367 0.77 SLC6A9 (0.53) PDE4DALDH1A1MAPTHTTPDE4A
SCHEMBL22386744 0.76 PDE4B (0.55) PDE4DPDE4APDE4BPDE4C
SCHEMBL22837047 0.76 THRA (0.43) PDE4DHTTKMT2A
SCHEMBL15968784 0.75 LMNA (0.55) PDE4DHTTPDE4APDE4BPDE4C

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 P2RX4 1837/4885PDE4D 3714/4885SCN9A 120/4885
US-20200277271-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF SUMO2, SUMO1, SUMO3 P2RX4 1837/4885PDE4D 3714/4885SCN9A 120/4885

“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.