SCHEMBL20064210

SCHEMBL20064210

O=C(O)[C@H]1C[C@H](Oc2ccccc2Cl)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
EPHX2 P34913 1/20 0.48
MKNK1 Q9BUB5 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
FFAR1 O14842 1/20 0.42
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
CXCL8 P10145 1/20 0.41
NOTUM Q6P988 1/20 0.41
KCNH2 Q12809 1/20 0.40
SCD O00767 1/20 0.40

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
SCHEMBL21222267 1.00 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3EPHX2MKNK1
SCHEMBL31381179 1.00 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3EPHX2MKNK1
SCHEMBL21222248 0.83 SCD (0.43) SLC6A4SLC6A2SLC6A3MKNK1NOTUM
SCHEMBL21222245 0.83 SCD (0.43) SLC6A4SLC6A2SLC6A3MKNK1NOTUM
SCHEMBL20064105 0.82 NOTUM (0.43) SLC6A4NOTUMKCNH2
SCHEMBL21222144 0.82 NOTUM (0.43) SLC6A4NOTUMKCNH2
SCHEMBL21222001 0.82 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3EPHX2FFAR4
SCHEMBL20064287 0.82 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3EPHX2FFAR4
SCHEMBL21222343 0.81 PDE4A (0.48) SLC6A4SLC6A2EPHX2FFAR1KMT2A
SCHEMBL21222345 0.81 PDE4A (0.48) SLC6A4SLC6A2EPHX2FFAR1KMT2A

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 SLC6A4 3998/4885SLC6A2 4258/4885SLC6A3 4142/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 SLC6A4 3998/4885SLC6A2 4258/4885SLC6A3 4142/4885

“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.