SCHEMBL15540554

SCHEMBL15540554

CS(=O)(=O)c1cc(COC(=O)N2CCC3(CC2)CN(S(=O)(=O)c2ccc4[nH]c(=O)oc4c2)C3)cc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATXN2 Q99700 18/20 1.00
ENPP2 Q13822 18/20 1.00
KCNH2 Q12809 1/20 0.49

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
SCHEMBL18323823 0.95 ATXN2 (0.90) ATXN2ENPP2
SCHEMBL15540925 0.89 ATXN2 (1.00) ATXN2ENPP2KCNH2
SCHEMBL15541318 0.89 ENPP2 (1.00) ATXN2ENPP2KCNH2
SCHEMBL15540234 0.83 ENPP2 (1.00) ATXN2ENPP2KCNH2
SCHEMBL118364 0.77 ENPP2 (0.64) ATXN2ENPP2KCNH2
SCHEMBL15540162 0.77 ATXN2 (1.00) ATXN2ENPP2
SCHEMBL18315571 0.76 ATXN2 (0.68) ATXN2ENPP2
SCHEMBL15540792 0.75 ENPP2 (1.00) ATXN2ENPP2KCNH2
SCHEMBL15584271 0.74 ATXN2 (0.82) ATXN2ENPP2
SCHEMBL15541708 0.74 ATXN2 (1.00) ATXN2ENPP2

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
EP-2861566-B1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN LA ROCHE (CH) 2016-12-21 EP claimed
EP-2861566-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE F. Hoffmann-La Roche AG (CH) 2015-04-22 EP claimed
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2015-04-09 US claimed
WO-2013186159-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE F. HOFFMANN-LA ROCHE AG (CH) 2013-12-19 WO claimed
US-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2020-07-02 US disclosed
US-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2020-07-02 US disclosed
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHE INC. (US) 2020-04-28 US disclosed
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHE INC. (US) 2020-04-28 US disclosed
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2017-02-02 US disclosed
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2017-02-02 US disclosed
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2017-02-02 US disclosed
EP-2861566-B1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN LA ROCHE (CH) 2016-12-21 EP disclosed
US-9493486-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHES INC. (US) 2016-11-15 US disclosed
US-9493486-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHES INC. (US) 2016-11-15 US disclosed
US-9493486-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHES INC. (US) 2016-11-15 US disclosed
EP-2861566-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE F. Hoffmann-La Roche AG (CH) 2015-04-22 EP disclosed
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2015-04-09 US disclosed
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2015-04-09 US disclosed
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2015-04-09 US disclosed
WO-2013186159-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE F. HOFFMANN-LA ROCHE AG (CH) 2013-12-19 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 (4 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-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 ATXN2 500/4885ENPP2 1/4885KCNH2 3381/4885
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 ATXN2 280/4885ENPP2 1/4885KCNH2 3175/4885
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane ENPP2, DAPK1, DAPK2 ATXN2 500/4885ENPP2 1/4885KCNH2 3381/4885
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE DAPK2, DAPK1, IDH3A ATXN2 1079/4885ENPP2 548/4885KCNH2 422/4885

“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.