SCHEMBL7169347

SCHEMBL7169347

CC(C)(CCCCC[S+]([O-])CCCCCC(C)(C)C(=O)c1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.39
PPARA Q07869 1/20 0.34
SLC6A2 P23975 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
TBXAS1 P24557 4/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HIF1A Q16665 1/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
MLYCD O95822 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
SLC6A3 Q01959 1/20 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
SCHEMBL6697904 0.90 PPARA (0.40) LTB4RPPARATBXAS1CES2CES1
SCHEMBL6701069 0.88 PPARA (0.40) LTB4RPPARATBXAS1HIF1ACES2
SCHEMBL9321972 0.78 PPARA (0.47) LTB4RPPARATBXAS1CES2CES1
SCHEMBL6531463 0.77 CES1 (0.42) LTB4RPPARAALDH1A1CES2CES1
SCHEMBL6691110 0.76 CES1 (0.39) PPARACYP2C19HIF1ACES2CES1
SCHEMBL6709801 0.75 CES1 (0.44) LTB4RPPARAALDH1A1CES2CES1
SCHEMBL6350509 0.73 PPARA (0.41) LTB4RPPARATBXAS1CES1TDP1
SCHEMBL11782068 0.72 CES1 (0.51) PPARACES2CES1
SCHEMBL11664524 0.72 CES1 (0.51) PPARACES2CES1
SCHEMBL7104524 0.72 SLC6A2 (0.52) SLC6A2TAAR1ALDH1A1CYP3A4CYP2C9

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-20030022865-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-01-30 US claimed

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-20030022865-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses NR1H2, NR1H3, APOB LTB4R 1556/4885PPARA 37/4885SLC6A2 4439/4885

“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.