SCHEMBL4366148

SCHEMBL4366148

COc1ccc2c(OS(=O)(=O)C(F)(F)F)coc2c1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.48
PDE4A P27815 9/20 0.37
PDE4D Q08499 7/20 0.37
PDE4C Q08493 5/20 0.37
KMT2A Q03164 1/20 0.35
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 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
SCHEMBL4364149 0.76 PDE4B (0.53) PDE4BPDE4APDE4DPDE4CKMT2A
SCHEMBL4365529 0.75 PDE4B (0.56) PDE4BPDE4APDE4DPDE4CKMT2A
SCHEMBL788982 0.74 ALDH1A1 (0.46) KMT2ADRD2DRD3
SCHEMBL4375614 0.74 PDE4B (0.55) PDE4BPDE4APDE4DPDE4CKMT2A
SCHEMBL4369467 0.72 PDE4B (0.53) PDE4BPDE4APDE4DPDE4CKMT2A
SCHEMBL31357933 0.68 HTR1A (0.30)
SCHEMBL29104329 0.68 DRD2 (0.43) KMT2ADRD2DRD1DRD4DRD5
SCHEMBL3680200 0.66 ALPL (0.52) PDE4BKMT2A
SCHEMBL4363589 0.66 PDE4B (0.46) PDE4BPDE4APDE4DPDE4CKMT2A
SCHEMBL29150475 0.65 DRD2 (0.36) PDE4BPDE4APDE4DPDE4CDRD2

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-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2009-11-26 US disclosed
WO-2008006052-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 GOVEK STEVEN P (US) 2008-01-10 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-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4A 1/4885PDE4D 4/4885

“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.