SCHEMBL23210214

SCHEMBL23210214

Cc1ccc(S(=O)(=O)OCCC(CCOS(=O)(=O)c2ccc(C)cc2)c2ccccc2Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.38
CYP24A1 Q07973 1/20 0.38
CYP2D6 P10635 4/20 0.37
CYP3A4 P08684 3/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
THPO P40225 1/20 0.37
ALDH1A1 P00352 6/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
DHODH Q02127 1/20 0.35
STAT3 P40763 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34

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
SCHEMBL23212930 0.94 ALDH1A1 (0.36) VDRCYP24A1CYP2D6CYP3A4LMNA
SCHEMBL29843909 0.82 CA12 (0.36) VDRCYP2D6CYP3A4MAPK1ALDH1A1
SCHEMBL23210189 0.82 CA12 (0.36) VDRCYP2D6CYP3A4MAPK1ALDH1A1
SCHEMBL7840144 0.80 ALDH1A1 (0.43) VDRCYP24A1CYP2D6CYP3A4LMNA
SCHEMBL23210224 0.79 BCHE (0.37) VDRCYP24A1LMNAMAPK1ALDH1A1
SCHEMBL29843880 0.79 BCHE (0.37) VDRCYP24A1LMNAMAPK1ALDH1A1
SCHEMBL25817316 0.79 GAA (0.41) VDRMAPK1ALDH1A1KMT2ACA12
SCHEMBL2537530 0.78 DHODH (0.40) VDRCYP2D6CYP3A4LMNAMAPK1
SCHEMBL23209991 0.78 LMNA (0.48) CYP3A4LMNAMAPK1ALDH1A1KEAP1
SCHEMBL23212923 0.78 PSEN1 (0.38) CYP2D6LMNAALDH1A1KMT2ACA12

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 15 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-20240140959-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2024-05-02 US disclosed
US-11820778-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2023-11-21 US disclosed
US-11820778-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2023-11-21 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
US-20220411435-A1 2-AZASPIRO[3,4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-12-29 US disclosed
US-11485742-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2022-11-01 US disclosed
EP-4041389-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS Novartis AG (CH) 2022-08-17 EP disclosed
EP-4041737-A1 5-OXA-2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS Novartis AG (CH) 2022-08-17 EP disclosed
US-20210130365-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2021-05-06 US disclosed
WO-2021070090-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 WO 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-2021070091-A1 5-OXA-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 (9 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 VDR 109/4885CYP24A1 616/4885CYP2D6 958/4885
US-11485742-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 VDR 109/4885CYP24A1 616/4885CYP2D6 958/4885
US-20240140959-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 VDR 109/4885CYP24A1 616/4885CYP2D6 958/4885
US-20210130365-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 VDR 109/4885CYP24A1 616/4885CYP2D6 958/4885
US-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 VDR 109/4885CYP24A1 616/4885CYP2D6 958/4885
US-20220411435-A1 2-AZASPIRO[3,4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 VDR 117/4885CYP24A1 597/4885CYP2D6 945/4885
US-12122761-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 VDR 109/4885CYP24A1 616/4885CYP2D6 958/4885
US-11548865-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 VDR 109/4885CYP24A1 616/4885CYP2D6 958/4885
US-11820778-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 VDR 109/4885CYP24A1 616/4885CYP2D6 958/4885

“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.