SCHEMBL5551244

SCHEMBL5551244

O=C(NC1CCC(NS(=O)(=O)c2c(O)ccc3cccnc23)CC1)c1cc(F)cnc1OC1CCSCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.41
PDE4D Q08499 2/20 0.41
PDE4A P27815 1/20 0.41
TYK2 P29597 6/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
AR P10275 1/20 0.33

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
SCHEMBL13929029 0.91 PDE4B (0.38) PDE4BPDE4DPDE4ATYK2CNR1
SCHEMBL4191375 0.91 PDE4B (0.38) PDE4BPDE4DPDE4ATYK2CNR1
SCHEMBL5551331 0.90 CNR2 (0.39) TYK2CNR1CNR2ALDH1A1LMNA
SCHEMBL4188864 0.80 CNR2 (0.39) PDE4BPDE4DTYK2CNR1CNR2
SCHEMBL13929031 0.80 CNR2 (0.39) PDE4BPDE4DTYK2CNR1CNR2
SCHEMBL5547933 0.80 PDE4B (0.55) PDE4BPDE4DPDE4ACNR1CNR2
SCHEMBL5551247 0.79 PDE4B (0.42) PDE4BPDE4DPDE4ATYK2
SCHEMBL13929105 0.79 PDE4B (0.50) PDE4BPDE4DPDE4ATYK2CNR1
SCHEMBL8303245 0.79 PDE4B (0.50) PDE4BPDE4DPDE4ATYK2CNR1
SCHEMBL4182884 0.79 PDE4B (0.50) PDE4BPDE4DPDE4ATYK2CNR1

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
EP-1651640-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-02-14 EP disclosed
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors BARBER CHRISTOPHER G 2006-08-10 US disclosed
US-20050043326-A1 Compounds PFIZER INC 2005-02-24 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-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4D 5/4885PDE4A 1/4885
US-20050043326-A1 Compounds NQO1, NAMPT, NNT PDE4B 719/4885PDE4D 1102/4885PDE4A 1024/4885

“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.