SCHEMBL6350448

SCHEMBL6350448

CCOC(=O)C(C)(CCCSCCCC(C)(C(=O)OCC)c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.43
MMP8 P22894 1/20 0.42
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
POLB P06746 2/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
CHRM5 P08912 1/20 0.39
SCN1A P35498 3/20 0.39
SCN2A Q99250 3/20 0.39
SCN3A Q9NY46 3/20 0.39
CYP3A4 P08684 3/20 0.38
TSHR P16473 3/20 0.38
CYP1A2 P05177 2/20 0.38
ABCB11 O95342 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL6344502 0.96 PIN1 (0.42) PIN1MMP8MAPTTHRBPOLB
SCHEMBL3279781 0.84 PIN1 (0.44) PIN1MMP8MAPTTHRBPOLB
SCHEMBL3285585 0.84 PIN1 (0.44) PIN1MMP8MAPTTHRBPOLB
SCHEMBL6268742 0.84 PIN1 (0.44) PIN1MMP8MAPTPOLBCHRM2
SCHEMBL28084453 0.83 PIN1 (0.49) PIN1MMP8MAPTTHRBPOLB
SCHEMBL3279889 0.83 PIN1 (0.43) PIN1MMP8MAPTTHRBPOLB
SCHEMBL6271042 0.83 CYP4F2 (0.44) PIN1MMP8POLBCHRM2CHRM4
SCHEMBL3285623 0.83 PIN1 (0.43) PIN1MMP8MAPTPOLBCHRM2
SCHEMBL3282595 0.82 PIN1 (0.42) PIN1MMP8POLBCHRM2CHRM4
SCHEMBL6355440 0.82 CYP2C19 (0.42) MAPTCHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005068418-A1 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2005-01-27 US disclosed
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 disclosed
EP-1363879-A2 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-11-26 EP disclosed
US-20020077316-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2002-06-20 US disclosed
WO-2002030884-A2 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO 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 (2 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-20020077316-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, IAPP, STS PIN1 1203/4885MMP8 1284/4885MAPT 940/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS PIN1 1166/4885MMP8 1281/4885MAPT 1006/4885

“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.