SCHEMBL20064124

SCHEMBL20064124

COC(=O)[C@H]1C[C@H](Oc2cc(F)ccc2OC(F)F)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.43
PDE4A P27815 9/20 0.43
PDE4B Q07343 9/20 0.43
PDE4C Q08493 9/20 0.43
SLC6A3 Q01959 4/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 2/20 0.39

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
SCHEMBL21222626 1.00 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CSLC6A3
SCHEMBL21228016 0.88 POLB (0.45) PDE4DPDE4APDE4BPDE4CSLC6A3
SCHEMBL20064307 0.87 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CSLC6A4
SCHEMBL21222052 0.87 NR1I2 (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL20064629 0.87 NR1I2 (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL21222563 0.86 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CSLC6A4
SCHEMBL21222565 0.86 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CSLC6A4
SCHEMBL21227907 0.86 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL21222215 0.85 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL21222564 0.85 GLRA3 (0.42) PDE4DPDE4APDE4BPDE4CSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 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 (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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 PDE4D 246/4885PDE4A 353/4885PDE4B 457/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 PDE4D 246/4885PDE4A 353/4885PDE4B 457/4885

“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.