SCHEMBL6346178

SCHEMBL6346178

CC(C)(CCSCCCSCCC(C)(C)CC(=O)O)CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 3/20 0.62
TDP1 Q9NUW8 2/20 0.59
FFAR1 O14842 1/20 0.59
CPT2 P23786 1/20 0.59
KDM4E B2RXH2 1/20 0.43
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5527618 0.96 BHMT (0.62) BHMTTDP1FFAR1CPT2KDM4E
SCHEMBL6693300 0.92 TDP1 (0.65) BHMTTDP1FFAR1CPT2KDM4E
SCHEMBL6353309 0.91 BHMT (0.66) BHMTTDP1FFAR1CPT2KDM4E
SCHEMBL6346089 0.89 TDP1 (0.68) BHMTTDP1FFAR1CPT2KDM4E
SCHEMBL6344185 0.88 TDP1 (0.72) BHMTTDP1FFAR1CPT2KDM4E
SCHEMBL5525271 0.86 TDP1 (0.76) BHMTTDP1FFAR1CPT2KDM4E
SCHEMBL6342957 0.81 TDP1 (0.57) BHMTTDP1FFAR1CPT2KDM4E
SCHEMBL6352767 0.80 TDP1 (0.60) BHMTTDP1FFAR1CPT2KDM4E
SCHEMBL6343345 0.80 TDP1 (0.60) BHMTTDP1FFAR1CPT2KDM4E
SCHEMBL6353014 0.79 BHMT (0.41) BHMTTDP1FFAR1CPT2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004532799-A 2004-10-28 JP claimed
EP-1363879-A2 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-11-26 EP claimed
US-20020077316-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2002-06-20 US claimed
WO-2002030884-A2 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO 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 (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 BHMT 353/4885TDP1 3733/4885FFAR1 244/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS BHMT 396/4885TDP1 3708/4885FFAR1 257/4885

“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.