SCHEMBL25817316

SCHEMBL25817316

CCCCOc1ccccc1C(CCOS(=O)(=O)c1ccc(C)cc1)CCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 3/20 0.41
CNR2 P34972 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
PPARA Q07869 1/20 0.37
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
VDR P11473 1/20 0.36
MAPK1 P28482 2/20 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
SCHEMBL25817320 0.86 ALDH1A1 (0.39) GAAMEN1KMT2ACA12CA1
SCHEMBL23209991 0.85 LMNA (0.48) CNR2CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL29843880 0.81 BCHE (0.37) GAAMEN1KMT2APPARGCA12
SCHEMBL23210224 0.81 BCHE (0.37) GAAMEN1KMT2APPARGCA12
SCHEMBL23210214 0.79 VDR (0.38) GAAKMT2ACNR2CA12CA1
SCHEMBL12182024 0.78 CYSLTR2 (0.40) GAAMEN1KMT2ACA12CA1
SCHEMBL8927880 0.77 CA1 (0.47) GAACA12CA1CA9CYP2C9
SCHEMBL187914 0.77 CA1 (0.47) GAACA12CA1CA9CYP2C9
SCHEMBL12453521 0.77 L3MBTL1 (0.55) GAAMEN1KMT2ACA12CA1
SCHEMBL23212936 0.77 RORC (0.35) GAAMEN1KMT2APPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-07-06 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 (1 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-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 GAA 4482/4885MEN1 1411/4885KMT2A 1568/4885

“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.