SCHEMBL23210224

SCHEMBL23210224

Cc1ccc(S(=O)(=O)OCCC(CCOS(=O)(=O)c2ccc(C)cc2)c2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
VDR P11473 1/20 0.36
LMNA P02545 3/20 0.35
GAA P10253 3/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RORC P51449 5/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR2 Q92731 1/20 0.34
PTGS2 P35354 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 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
SCHEMBL29843880 1.00 BCHE (0.37) BCHEACHEVDRLMNAGAA
SCHEMBL23212936 0.94 RORC (0.35) BCHEACHEVDRLMNAGAA
SCHEMBL25817316 0.81 GAA (0.41) VDRGAAHTTALDH1A1MAPK1
SCHEMBL5640238 0.80 CA12 (0.43) BCHEACHEVDRLMNAGAA
SCHEMBL23209991 0.80 LMNA (0.48) LMNAALDH1A1MAPK1NPSR1
SCHEMBL23210214 0.79 VDR (0.38) VDRLMNAGAAHTTALDH1A1
SCHEMBL7840144 0.75 ALDH1A1 (0.43) BCHEACHEVDRLMNAGAA
SCHEMBL23210226 0.75 LMNA (0.44) LMNAALDH1A1
SCHEMBL23212930 0.74 ALDH1A1 (0.36) VDRLMNAGAAALDH1A1MAPK1
SCHEMBL1130250 0.72 CA12 (0.41) BCHEACHEVDRLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12122761-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2024-10-22 US disclosed
US-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-07-06 US disclosed
US-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-07-06 US disclosed
US-11548865-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2023-01-10 US disclosed
EP-4041389-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS Novartis AG (CH) 2022-08-17 EP disclosed
US-20210107889-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2021-04-15 US disclosed
WO-2021070090-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 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-20210107889-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 BCHE 2840/4885ACHE 863/4885VDR 109/4885
US-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 BCHE 2840/4885ACHE 863/4885VDR 109/4885
US-12122761-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 BCHE 2840/4885ACHE 863/4885VDR 109/4885
US-11548865-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 BCHE 2840/4885ACHE 863/4885VDR 109/4885

“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.