Sugi Predict

Sugi Predict / Compounds / SCHEMBL20064281

SCHEMBL20064281

SCHEMBL20064281

COC(=O)[C@H]1C[C@H](Oc2cc(F)cc(Cl)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.37
▸ EPAS1 Q99814 5/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ TAS1R2 Q8TE23 1/20 0.35
▸ CHRNB2 P17787 2/20 0.34
▸ CHRNA4 P43681 2/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ GRM4 Q14833 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
SCHEMBL21222266 0.90 EPHX2 (0.43) EPHX2OPRM1OPRK1KCNH2CHRNB2
SCHEMBL20064207 0.90 EPHX2 (0.43) EPHX2OPRM1OPRK1KCNH2CHRNB2
SCHEMBL20064347 0.84 KCNH2 (0.40) EPHX2EPAS1OPRM1OPRK1KCNH2
SCHEMBL21222291 0.84 KCNH2 (0.40) EPHX2EPAS1OPRM1OPRK1KCNH2
SCHEMBL21222580 0.79 SLC6A4 (0.54) EPHX2OPRK1KCNH2SLC6A2SLC6A4
SCHEMBL21222448 0.79 SLC6A2 (0.54) OPRK1KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL20064646 0.79 SLC6A2 (0.54) OPRK1KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL20064278 0.79 SLC6A4 (0.54) EPHX2OPRK1KCNH2SLC6A2SLC6A4
SCHEMBL2474293 0.77 EPHX2 (0.48) EPHX2GRIN1GRIN2B
SCHEMBL2474297 0.77 EPHX2 (0.48) EPHX2GRIN1GRIN2B

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 3 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-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 EPHX2 436/4885EPAS1 358/4885OPRM1 1138/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 EPHX2 436/4885EPAS1 358/4885OPRM1 1138/4885

“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.