SCHEMBL21222641

SCHEMBL21222641

O=C(O)[C@H]1C[C@H](Oc2cc(F)cc3ccoc23)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
IDO1 P14902 3/20 0.35
RORC P51449 2/20 0.33
GYS1 P13807 1/20 0.33
HTR6 P50406 1/20 0.33
MGLL Q99685 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A4 P31645 1/20 0.33
DGAT1 O75907 1/20 0.32
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
NOTUM Q6P988 1/20 0.31
ENPP2 Q13822 3/20 0.31
KCNA3 P22001 1/20 0.31

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
SCHEMBL21222642 1.00 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL21222208 0.86 HTR6 (0.37) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL21222209 0.86 HTR6 (0.37) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL20064134 0.81 ENPP2 (0.38) PDE4APDE4BPDE4CPDE4DENPP2
SCHEMBL21222645 0.81 ENPP2 (0.38) PDE4APDE4BPDE4CPDE4DENPP2
SCHEMBL20064061 0.80 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DENPP2
SCHEMBL21222513 0.75 FFAR1 (0.43) IDO1MGLLNOTUM
SCHEMBL20064556 0.75 FFAR1 (0.43) IDO1MGLLNOTUM
SCHEMBL21222248 0.72 SCD (0.43) IDO1RORCSLC6A4NOTUM
SCHEMBL21222245 0.72 SCD (0.43) IDO1RORCSLC6A4NOTUM

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 4 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

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 PDE4A 353/4885PDE4B 457/4885PDE4C 784/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 PDE4A 353/4885PDE4B 457/4885PDE4C 784/4885

“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.