SCHEMBL17064148

SCHEMBL17064148

O=C1CC(=O)OC2(CCC2)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
PTPN1 P18031 1/20 0.35
ACP1 P24666 1/20 0.35
CDC25B P30305 1/20 0.35
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
HTT P42858 1/20 0.31
MAPT P10636 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
ACHE P22303 1/20 0.30
MITF O75030 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 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
SCHEMBL5708888 0.94 SMN1; SMN2 (0.39) SMN1; SMN2PTPN1ACP1CDC25BALDH1A1
SCHEMBL2581832 0.92 SMN1; SMN2 (0.38) SMN1; SMN2PTPN1ACP1CDC25BALDH1A1
SCHEMBL5708919 0.92 SMN1; SMN2 (0.38) SMN1; SMN2PTPN1ACP1CDC25BALDH1A1
SCHEMBL14021448 0.92 SMN1; SMN2 (0.38) SMN1; SMN2PTPN1ACP1CDC25BALDH1A1
SCHEMBL21081502 0.91 PTPN1 (0.32) SMN1; SMN2PTPN1ACP1CDC25BALDH1A1
SCHEMBL9889189 0.91 PTPN1 (0.32) SMN1; SMN2PTPN1ACP1CDC25BALDH1A1
SCHEMBL14224446 0.83
SCHEMBL17072788 0.81 PTPN1 (0.33) SMN1; SMN2PTPN1ACP1CDC25BALDH1A1
SCHEMBL5708918 0.79 CYP1A2 (0.31)
SCHEMBL13203925 0.79 LMNA (0.34) SMN1; SMN2ALDH1A1LMNATSHR

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161823-B2 Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof NATIONAL GUARD HEALTH AFFAIRS (SA) 2021-11-02 US disclosed
US-11161823-B2 Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof NATIONAL GUARD HEALTH AFFAIRS (SA) 2021-11-02 US disclosed
US-20200290975-A1 ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF NATIONAL GUARD HEALTH AFFAIRS (SA) 2020-09-17 US disclosed
US-20200290975-A1 ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF NATIONAL GUARD HEALTH AFFAIRS (SA) 2020-09-17 US disclosed
EP-3114117-B1 IODINE(III)-MEDIATED RADIOFLUORINATION MASSACHUSETTS GEN HOSPITAL (US) 2019-10-02 EP disclosed
EP-3114117-B1 IODINE(III)-MEDIATED RADIOFLUORINATION MASSACHUSETTS GEN HOSPITAL (US) 2019-10-02 EP disclosed
US-10316014-B2 Facile and selective perfluoro-and polyfluoroarylation of meldrums acid THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2019-06-11 US disclosed
US-9957231-B2 Iodine(II)-mediated radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2018-05-01 US disclosed
US-9957231-B2 Iodine(II)-mediated radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2018-05-01 US disclosed
US-9957231-B2 Iodine(II)-mediated radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2018-05-01 US disclosed
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination THE GENERAL HOSPITAL CORPORATION 2016-12-15 US disclosed
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination THE GENERAL HOSPITAL CORPORATION 2016-12-15 US disclosed
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination THE GENERAL HOSPITAL CORPORATION 2016-12-15 US disclosed
US-9434699-B2 Iodine(III)-mediated radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2016-09-06 US disclosed
US-9434699-B2 Iodine(III)-mediated radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2016-09-06 US disclosed
US-9434699-B2 Iodine(III)-mediated radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2016-09-06 US disclosed
WO-2015134923-A1 IODINE(III)-MEDIATED RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION (US) 2015-09-11 WO disclosed
US-20150252007-A1 IODINE(III)-MEDIATED RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION 2015-09-10 US disclosed
US-20150252007-A1 IODINE(III)-MEDIATED RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION 2015-09-10 US disclosed
US-20150252007-A1 IODINE(III)-MEDIATED RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION 2015-09-10 US 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 (5 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-10316014-B2 Facile and selective perfluoro-and polyfluoroarylation of meldrums acid FXR2, NR1H4, FXR1 SMN1; SMN2 2141/4885PTPN1 3845/4885ACP1 3650/4885
US-11161823-B2 Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof PDK1, PDHA1, PDHA2 SMN1; SMN2 705/4885PTPN1 4560/4885ACP1 1320/4885
US-20150252007-A1 IODINE(III)-MEDIATED RADIOFLUORINATION TPO, FLI1, SSTR3 SMN1; SMN2 4649/4885PTPN1 4030/4885ACP1 3951/4885
US-20200290975-A1 ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF PDK1, PDHA1, PDHA2 SMN1; SMN2 705/4885PTPN1 4560/4885ACP1 1320/4885
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination TPO, FLI1, SSTR3 SMN1; SMN2 4649/4885PTPN1 4030/4885ACP1 3951/4885

“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.