SCHEMBL6355202

SCHEMBL6355202

CC(C)(CCCSCCCC(C)(C)C(=O)O)COO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.40
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
PPARA Q07869 9/20 0.35
TDP1 Q9NUW8 2/20 0.33
TTR P02766 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C8 P10632 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
ADRA1A P35348 1/20 0.33
PPARG P37231 1/20 0.33
HTR2B P41595 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
CISD1 Q9NZ45 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
BHMT Q93088 3/20 0.33
FFAR1 O14842 1/20 0.32

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
SCHEMBL6348466 0.84 ACLY (0.52) ACLYACACBACACAPPARATDP1
SCHEMBL5529300 0.82 ACLY (0.50) ACLYACACBACACAPPARATDP1
SCHEMBL6343334 0.82 ACLY (0.50) ACLYACACBACACAPPARATDP1
SCHEMBL3329749 0.81 ACLY (0.41) ACLYACACBACACAPPARATDP1
SCHEMBL6347076 0.81 ACLY (0.43) ACLYACACBACACAPPARATDP1
SCHEMBL5539412 0.78 ACLY (0.45) ACLYACACBACACAPPARATDP1
SCHEMBL6352958 0.78 ACLY (0.55) ACLYACACBACACAPPARATDP1
SCHEMBL6705290 0.78 ACLY (0.38) ACLYACACBACACAPPARATDP1
SCHEMBL5526952 0.76 ACLY (0.48) ACLYACACBACACAPPARATDP1
SCHEMBL6354018 0.76 ACLY (0.59) ACLYACACBACACAPPARATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6703422-B2 FOR THERAPY AND PROPHYLAXIS OF CARDIOVASCULAR DISEASE, DYSLIPIDEMIA; DYSLIPOPROTEINEMIA; DISORDER OF GLUCOSE METABOLISM; ALZHEIMER'S DISEASE; SYNDROME X; PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ASSOCIATED DISORDER ESPERION THERAPEUTICS, INC. 2004-03-09 US claimed
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2005-01-27 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-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS ACLY 266/4885ACACB 376/4885ACACA 280/4885

“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.