SCHEMBL25537320

SCHEMBL25537320

CC(C)CS(=O)(=O)CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.36
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ACHE P22303 1/20 0.31
CHRM5 P08912 2/20 0.31
CYP1A2 P05177 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
REN P00797 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
EPHX1 P07099 2/20 0.31

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
SCHEMBL12139970 0.98 EPHX2 (0.33) EPHX2
SCHEMBL12545987 0.89
SCHEMBL14378258 0.78 CYP1A2 (0.41) ADH1BADH1CADH1AACHECHRM5
SCHEMBL9623360 0.77 CHRM5 (0.36) ADH1BADH1CADH1AACHECHRM5
SCHEMBL12251524 0.74 ADH1B (0.33) ADH1BADH1CADH1AACHECYP1A2
SCHEMBL6260667 0.73 METAP1 (0.33)
SCHEMBL14427012 0.72 CYP1A2 (0.41) ADH1AACHECHRM5CYP1A2ADRA2C
SCHEMBL3055263 0.71 CHRM5 (0.34) ADH1BADH1CADH1AACHECHRM5
SCHEMBL18624724 0.71 ADH1B (0.30) ADH1BADH1CADH1AACHECYP1A2
SCHEMBL24767638 0.71 ADH1B (0.31) ADH1BADH1CADH1AACHECYP1A2

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-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY SHOUTI INC. 2023-06-01 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-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 EPHX2 1164/4885ADH1B 1709/4885ADH1C 1534/4885

“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.