SCHEMBL23213491

SCHEMBL23213491

Cc1ccc(S(=O)(=O)OCCC(CCOS(=O)(=O)c2ccc(C)cc2)c2cc(F)c(F)cc2OCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KEAP1 Q14145 5/20 0.42
NFE2L2 Q16236 5/20 0.42
CYP19A1 P11511 1/20 0.40
AR P10275 1/20 0.39
PIR O00625 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
CD4 P01730 2/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
CNR2 P34972 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL23213167 0.95 KEAP1 (0.43) LMNAMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL23210226 0.89 LMNA (0.44) LMNAMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL23210311 0.89 LMNA (0.44) LMNAMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL23209991 0.86 LMNA (0.48) LMNAMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL23212912 0.84 KEAP1 (0.42) LMNAMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL23213647 0.84 KEAP1 (0.42) LMNAMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL23213273 0.84 KDM1A (0.40) LMNAMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL23210281 0.83 KDM1A (0.41) LMNAMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL26780885 0.79 LMNA (0.40) LMNAMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4057724 0.78 LMNA (0.43) LMNAMAPTCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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 (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-11485742-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 LMNA 4761/4885MAPT 3879/4885CYP1A2 568/4885
US-20240140959-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 LMNA 4761/4885MAPT 3879/4885CYP1A2 568/4885
US-20210130365-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 LMNA 4761/4885MAPT 3879/4885CYP1A2 568/4885
US-20220411435-A1 2-AZASPIRO[3,4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 LMNA 4764/4885MAPT 3906/4885CYP1A2 561/4885
US-11820778-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 LMNA 4761/4885MAPT 3879/4885CYP1A2 568/4885

“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.