SCHEMBL5408240

SCHEMBL5408240

CCCCCCCCCCCCCCSCC(=O)SC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.42
CYP2C9 P11712 2/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CES1 P23141 5/20 0.41
FAAH O00519 4/20 0.41
PLA2G6 O60733 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
CTSK P43235 4/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL5407637 0.92 CES2 (0.38) CES2CYP2C9GMNNTP53POLB
SCHEMBL5407675 0.81 CES2 (0.41) CES2CYP2C9GMNNTP53POLB
SCHEMBL5421564 0.81 CES2 (0.49) CES2CYP2C9GMNNTP53POLB
SCHEMBL5408248 0.79 MEN1 (0.41) HSD17B10TDP1MEN1KMT2ALMNA
SCHEMBL5407644 0.78 CES2 (0.38) CES2CYP2C9GMNNTP53POLB
SCHEMBL5410812 0.78 TDP1 (0.39) CES2CYP2C9GMNNTP53POLB
SCHEMBL5403754 0.75 CES2 (0.45) CES2CYP2C9GMNNTP53POLB
SCHEMBL5403727 0.73 CES2 (0.43) CES2CYP2C9GMNNTP53POLB
SCHEMBL5403745 0.73 MEN1 (0.44) TDP1MEN1KMT2ALMNAGAA
SCHEMBL5465569 0.72 MEN1 (0.37) TDP1MEN1KMT2ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253296-B2 Acylated aminopropanediols and analogues and therapeutic uses thereof GENFIT (FR) 2007-08-07 US disclosed
US-20060154984-A1 Therapeutic use of acyl glycerols and the nitrogen- and sulphur- containing analogues thereof GENFIT (FR) 2006-07-13 US disclosed
US-20060069156-A1 Acylated aminopropanediols and analogues and therapeutic uses thereof GENFIT (FR) 2006-03-30 US disclosed
US-20060035977-A1 Uses of acylated aminopropanediols and sulphur and nitrogen analogues of same f GENTIF (FR) 2006-02-16 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 (3 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-20060069156-A1 Acylated aminopropanediols and analogues and therapeutic uses thereof AASDHPPT, ABAT, AADAC CES2 944/4885CYP2C9 3797/4885GMNN 2989/4885
US-20060035977-A1 Uses of acylated aminopropanediols and sulphur and nitrogen analogues of same f ASS1, SMURF1, SMURF2 CES2 1728/4885CYP2C9 2833/4885GMNN 2879/4885
US-20060154984-A1 Therapeutic use of acyl glycerols and the nitrogen- and sulphur- containing analogues thereof AGPAT5, HAGH, AGPAT2 CES2 1234/4885CYP2C9 3639/4885GMNN 574/4885

“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.