SCHEMBL1344682

SCHEMBL1344682

CCC[C@H](OC(=O)C(C)C)OC(C)=S

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.33
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1342652 1.00 FAAH (0.33) FAAHCHRM1AKR1A1CHRM3HTR2A
SCHEMBL1342654 1.00 FAAH (0.33) FAAHCHRM1AKR1A1CHRM3HTR2A
SCHEMBL28526090 0.88 HDAC1 (0.37) FAAHCHRM1AKR1A1CHRM3HTR2A
SCHEMBL28515601 0.79 NAAA (0.34) FAAHCHRM1AKR1A1CHRM3HTR2A
SCHEMBL17453512 0.79 CA1 (0.34) FAAHCHRM1AKR1A1CHRM3HTR2A
SCHEMBL1344995 0.78 ALDH1A1 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1343165 0.78 ALDH1A1 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28627424 0.78 ALDH1A1 (0.40) FAAHTDP1
SCHEMBL1345356 0.78 ALDH1A1 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL12132618 0.76 CHRNB2 (0.42) CHRM1CHRM3

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
EP-2250143-B1 METHOD FOR THE ENZYMATIC KINETIC RESOLUTION OF ACYLOXYALKYL THIOCARBONATES USED FOR THE SYNTHESIS OF ACYLOXYALKYL CARBAMATES XENOPORT INC (US) 2016-04-20 EP disclosed
US-8062870-B2 Enantiomerically resolving acyloxyalkyl thiocarbonates used in synthesizing acyloxyalkyl carbamate prodrugs XENOPORT, INC. (US) 2011-11-22 US disclosed
EP-2250143-A2 METHOD FOR THE ENZYMATIC KINETIC RESOLUTION OF ACYLOXYALKYL THIOCARBONATES USED FOR THE SYNTHESIS OF ACYLOXYALKYL CARBAMATES XenoPort, Inc. (US) 2010-11-17 EP disclosed
US-20090192325-A1 ENANTIOMERICALLY RESOLVING ACYLOXYALKYL THIOCARBONATES USED IN SYNTHESIZING ACYLOXYALKYL CARBAMATE PRODRUGS XENOPORT, INC. (US) 2009-07-30 US disclosed
WO-2009094569-A2 METHOD FOR THE ENZYMATIC KINETIC RESOLUTION OF ACYLOXYALKYL THIOCARBONATES USED FOR THE SYNTHESIS OF ACYLOXYALKYL CARBAMATES XENOPORT, INC. (US) 2009-07-30 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 (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-20090192325-A1 ENANTIOMERICALLY RESOLVING ACYLOXYALKYL THIOCARBONATES USED IN SYNTHESIZING ACYLOXYALKYL CARBAMATE PRODRUGS AADAC, NAAA, APEH FAAH 19/4885CHRM1 4393/4885AKR1A1 353/4885

“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.