SCHEMBL20063944

SCHEMBL20063944

Fc1ccc(OC(F)F)c(OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
PDE4A P27815 4/20 0.45
PDE4B Q07343 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM1A O60341 1/20 0.44
LMNA P02545 1/20 0.44
SLC6A4 P31645 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
AKR1C3 P42330 1/20 0.42
LRRK2 Q5S007 1/20 0.42
LIPE Q05469 1/20 0.41
PTGER1 P34995 1/20 0.41

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
SCHEMBL10934702 0.87 MAPT (0.53) PDE4APDE4BL3MBTL1PDE4CPDE4D
SCHEMBL20064612 0.83 SLC6A4 (0.56) LMNASLC6A4MRGPRX4PTGER1
SCHEMBL23981776 0.83 PDE4B (0.44) FFAR1PDE4APDE4BL3MBTL1PDE4C
SCHEMBL23981779 0.83 MAPT (0.47) FFAR4PDE4APDE4BL3MBTL1PDE4C
SCHEMBL1033829 0.82 PDE4A (0.46) FFAR1FFAR4PDE4APDE4BPDE4C
SCHEMBL20064613 0.82 MAPK1 (0.46) FFAR4PDE4APDE4BL3MBTL1PDE4C
SCHEMBL1027720 0.82 PDE4B (0.43) PDE4APDE4BL3MBTL1PDE4CPDE4D
SCHEMBL30002764 0.81 FFAR1 (0.66) FFAR1FFAR4L3MBTL1MAPTMAPK1
SCHEMBL4228617 0.81 FFAR1 (0.66) FFAR1FFAR4L3MBTL1MAPTMAPK1
SCHEMBL10370438 0.80 HTR1A (0.47) FFAR1FFAR4L3MBTL1MAPTMAPK1

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 7 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
EP-3526206-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-21 EP 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
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 FFAR1 1086/4885FFAR4 3050/4885PDE4A 353/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 FFAR1 1086/4885FFAR4 3050/4885PDE4A 353/4885

“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.