SCHEMBL25547871

SCHEMBL25547871

CCN(CC(=O)O)C(C(=O)O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.32
PGR P06401 1/20 0.32
ADRA2B P18089 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
KCNH2 Q12809 1/20 0.32
FDPS P14324 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
EYA2 O00167 1/20 0.31
APP P05067 1/20 0.31
ACE P12821 1/20 0.31
FFAR3 O14843 1/20 0.31
ADRA1A P35348 2/20 0.30
DPP4 P27487 1/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CHRM2 P08172 1/20 0.30

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
SCHEMBL19069557 0.91 TDP1 (0.33) ADRA2ATDP1EYA2APPACE
SCHEMBL755837 0.89 FDPS (0.34) ADRA2APGRADRA2BHTR2AHRH1
SCHEMBL8702792 0.89 FDPS (0.34) ADRA2APGRADRA2BHTR2AHRH1
SCHEMBL9611561 0.89 FDPS (0.34) ADRA2APGRADRA2BHTR2AHRH1
SCHEMBL26821507 0.80 TDP1 (0.52) ADRA2ATDP1EYA2APPACE
SCHEMBL17124045 0.77
SCHEMBL8706388 0.77 FDPS (0.39) HTR2AHRH1FDPSTDP1ADRA1A
SCHEMBL3993907 0.75 TDP1 (0.31) ADRA2ATDP1EYA2APPACE
SCHEMBL670147 0.74 TDP1 (0.33) ADRA2APGRADRA2BHTR2AHRH1
SCHEMBL10064563 0.74 ADRA2A (0.41) ADRA2APGRADRA2BHTR2AHRH1

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-20230159488-A1 APPLICATION OF HETEROCYCLIC COMPOUND CONTAINING AT LEAST TWO SULFUR ATOMS IN PREPARING NANO-VACCINE AND PREPARED NANO-VACCINE Suzhou WEAST Biotechnology Co., Ltd. (CN) 2023-05-25 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-20230159488-A1 APPLICATION OF HETEROCYCLIC COMPOUND CONTAINING AT LEAST TWO SULFUR ATOMS IN PREPARING NANO-VACCINE AND PREPARED NANO-VACCINE CD4, NFATC1, CTSA ADRA2A 3946/4885PGR 4610/4885ADRA2B 4308/4885

“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.