SCHEMBL20064556

SCHEMBL20064556

O=C(O)[C@H]1C[C@H](Oc2cc(F)ccc2F)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
GRIN1 Q05586 4/20 0.39
GRIN2B Q13224 4/20 0.39
IDO1 P14902 3/20 0.39
FFAR4 Q5NUL3 1/20 0.38
NOTUM Q6P988 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
GPR6 P46095 1/20 0.37
KDM1A O60341 2/20 0.37
KDM1B Q8NB78 1/20 0.37
MGLL Q99685 1/20 0.36
RBP4 P02753 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL21222513 1.00 FFAR1 (0.43) FFAR1ALDH1A1TSHRGRIN1GRIN2B
SCHEMBL21222248 0.85 SCD (0.43) IDO1NOTUMSCN9A
SCHEMBL21222245 0.85 SCD (0.43) IDO1NOTUMSCN9A
SCHEMBL21222047 0.84 PDE4A (0.46) FFAR1IDO1FFAR4
SCHEMBL20064203 0.84 PDE4A (0.46) FFAR1IDO1FFAR4
SCHEMBL21222421 0.84 PDE4A (0.52) FFAR1FFAR4
SCHEMBL21222420 0.84 PDE4A (0.52) FFAR1FFAR4
SCHEMBL21222608 0.84 FFAR1 (0.41) FFAR1GRIN1GRIN2BSCN9A
SCHEMBL21222609 0.84 FFAR1 (0.41) FFAR1GRIN1GRIN2BSCN9A
SCHEMBL21222215 0.82 PDE4D (0.43) IDO1NOTUMRBP4

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 FFAR1 1086/4885ALDH1A1 222/4885TSHR 3838/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 FFAR1 1086/4885ALDH1A1 222/4885TSHR 3838/4885

“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.