SCHEMBL20064629

SCHEMBL20064629

COC(=O)[C@H]1C[C@H](Oc2ccccc2OC(F)F)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.43
PDE4A P27815 6/20 0.42
PDE4B Q07343 6/20 0.42
PDE4C Q08493 6/20 0.42
PDE4D Q08499 6/20 0.42
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL21222052 1.00 NR1I2 (0.43) NR1I2PDE4APDE4BPDE4CPDE4D
SCHEMBL20064124 0.87 PDE4D (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL21222626 0.87 PDE4D (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL21222436 0.85 EPHX2 (0.46) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL20064643 0.85 EPHX2 (0.46) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL21222633 0.84 PDE4A (0.42) NR1I2PDE4APDE4BPDE4CPDE4D
SCHEMBL20064136 0.84 PDE4A (0.42) NR1I2PDE4APDE4BPDE4CPDE4D
SCHEMBL21222565 0.83 PDE4D (0.45) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL21222563 0.83 PDE4D (0.45) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL20064252 0.82 KCNK3 (0.40) PDE4BPDE4D

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 NR1I2 1042/4885PDE4A 353/4885PDE4B 457/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 NR1I2 1042/4885PDE4A 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.