SCHEMBL20064667

SCHEMBL20064667

O=C(O)[C@H]1C[C@H](Oc2cccc3cncnc23)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.38
CD274 Q9NZQ7 1/20 0.37
ENPP2 Q13822 5/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
MCHR1 Q99705 4/20 0.36
IRAK4 Q9NWZ3 3/20 0.35
IRAK1 P51617 2/20 0.35
SYK P43405 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
LMNA P02545 1/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DGAT1 O75907 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL21222333 1.00 MKNK1 (0.38) MKNK1CD274ENPP2GRIN1GRIN2B
SCHEMBL21222281 0.86 PIM2 (0.37) CD274GRIN1GRIN2BMCHR1IRAK4
SCHEMBL21222283 0.86 PIM2 (0.37) CD274GRIN1GRIN2BMCHR1IRAK4
SCHEMBL21222109 0.83 LMNA (0.51) LMNAMETAP2METAP1HDAC6
SCHEMBL20064040 0.83 LMNA (0.51) LMNAMETAP2METAP1HDAC6
SCHEMBL20064263 0.80 ENPP2 (0.38) MKNK1ENPP2GRIN1GRIN2BDGAT1
SCHEMBL21222061 0.80 ENPP2 (0.38) MKNK1ENPP2GRIN1GRIN2BDGAT1
SCHEMBL21222611 0.79 JAK2 (0.35) CD274MCHR1IRAK4IRAK1SYK
SCHEMBL21222610 0.79 JAK2 (0.35) CD274MCHR1IRAK4IRAK1SYK
SCHEMBL10768382 0.75 LMNA (0.47) TRPV1LMNAMETAP2METAP1HDAC6

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 MKNK1 4683/4885CD274 2645/4885ENPP2 150/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 MKNK1 4683/4885CD274 2645/4885ENPP2 150/4885

“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.