SCHEMBL20064203

SCHEMBL20064203

COc1cc(F)ccc1O[C@H]1C[C@H](C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.46
PDE4B Q07343 6/20 0.46
PDE4C Q08493 6/20 0.46
PDE4D Q08499 6/20 0.46
GLRA3 O75311 1/20 0.43
GLRB P48167 1/20 0.43
FFAR4 Q5NUL3 3/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR1 O14842 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD11B1 P28845 1/20 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
SCHEMBL21222047 1.00 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DGLRA3
SCHEMBL21222420 0.94 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DGLRA3
SCHEMBL21222421 0.94 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DGLRA3
SCHEMBL21222564 0.87 GLRA3 (0.42) PDE4APDE4BPDE4CPDE4DGLRA3
SCHEMBL20064128 0.87 GLRA3 (0.42) PDE4APDE4BPDE4CPDE4DGLRA3
SCHEMBL20064556 0.84 FFAR1 (0.43) FFAR4FFAR1IDO1
SCHEMBL21222513 0.84 FFAR1 (0.43) FFAR4FFAR1IDO1
SCHEMBL21222345 0.83 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL21222343 0.83 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL20064314 0.83 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DCA1

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 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.