Sugi Predict

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SCHEMBL20064111

SCHEMBL20064111

O=C(O)[C@H]1C[C@H](Oc2cccc3c(Br)coc23)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.34
▸ S1PR5 Q9H228 1/20 0.32
▸ TBXA2R P21731 6/20 0.32
▸ PTGIR P43119 6/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ACSL3 O95573 1/20 0.31
▸ ACSL1 P33121 1/20 0.31
▸ ACSL6 Q9UKU0 1/20 0.31
▸ AR P10275 1/20 0.30

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
SCHEMBL21222449 1.00 ENPP2 (0.34) ENPP2S1PR5TBXA2RPTGIRMEN1
SCHEMBL20064630 0.86 MEN1 (0.32) MEN1RAB9AKMT2AL3MBTL1AR
SCHEMBL20064110 0.78 MCHR1 (0.35) MEN1KMT2AAR
SCHEMBL21222460 0.76 DRD2 (0.35) ENPP2S1PR5AR
SCHEMBL20065591 0.76 DRD2 (0.35) ENPP2S1PR5AR
SCHEMBL21222186 0.75 SMN1; SMN2 (0.37) MEN1RAB9AKMT2AL3MBTL1
SCHEMBL21222187 0.75 SMN1; SMN2 (0.37) MEN1RAB9AKMT2AL3MBTL1
SCHEMBL20064134 0.75 ENPP2 (0.38) ENPP2MEN1RAB9AKMT2AL3MBTL1
SCHEMBL21222645 0.75 ENPP2 (0.38) ENPP2MEN1RAB9AKMT2AL3MBTL1
SCHEMBL25097564 0.71 HPGD (0.48) MEN1RAB9AKMT2AAR

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 ENPP2 150/4885S1PR5 1055/4885TBXA2R 27/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 ENPP2 150/4885S1PR5 1055/4885TBXA2R 27/4885

“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.