SCHEMBL21111560

SCHEMBL21111560

CCCCCCCCCCCCCCC(C(=O)NC(NC(=O)C(CCCCCCCCCCCCCC)C(C)O)C(C)O)C(C)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.45
GPR84 Q9NQS5 7/20 0.43
FFAR1 O14842 2/20 0.43
ZDHHC7 Q9NXF8 1/20 0.42
FAAH O00519 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
ABCB1 P08183 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ACE2 Q9BYF1 1/20 0.40

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
SCHEMBL15265284 0.79 BIRC2 (0.45) MMP3MEN1KMT2A
SCHEMBL15413165 0.79 BIRC2 (0.45) MMP3MEN1KMT2A
SCHEMBL28552378 0.79 ZDHHC7 (0.58) GPR84FFAR1ZDHHC7FAAHABCB1
SCHEMBL29205062 0.78 GPR84 (0.42) GPR84FFAR1FAAH
SCHEMBL29205060 0.78 GPR84 (0.42) GPR84FFAR1FAAH
SCHEMBL27200569 0.78 GPR84 (0.43) MMP3GPR84FFAR1FAAHFFAR4
SCHEMBL2374655 0.78 GPR84 (0.43) MMP3GPR84FFAR1FAAHFFAR4
SCHEMBL29205061 0.78 GPR84 (0.42) GPR84FFAR1FAAH
SCHEMBL14915950 0.78 GPR84 (0.43) MMP3GPR84FFAR1FAAHFFAR4
SCHEMBL28037989 0.78 ZDHHC7 (0.41) GPR84FFAR1ZDHHC7FAAHMEN1

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-11185544-B2 Formulations of 4-methyl-5-(pyrazin-2-yl)-3H-l,2-dithiole-3-thione, taste-modified formulations, and methods of making and using same ST IP HOLDING AG (CH) 2021-11-30 US disclosed
US-20190209557-A1 Formulations of 4-Methyl-5-(Pyrazin-2-yl)-3H-1,2-Dithiole-3-Thione, Taste-Modified Formulations, and Methods of Making and Using Same ZPNE GROUP GMBH (CH) 2019-07-11 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-20190209557-A1 Formulations of 4-Methyl-5-(Pyrazin-2-yl)-3H-1,2-Dithiole-3-Thione, Taste-Modified Formulations, and Methods of Making and Using Same TAS2R5, TAS2R3, TAS2R16 MMP3 4415/4885GPR84 2524/4885FFAR1 1428/4885
US-11185544-B2 Formulations of 4-methyl-5-(pyrazin-2-yl)-3H-l,2-dithiole-3-thione, taste-modified formulations, and methods of making and using same TAS2R5, TAS2R3, TAS2R16 MMP3 4405/4885GPR84 2695/4885FFAR1 1744/4885

“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.