SCHEMBL1344995

SCHEMBL1344995

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 4/20 0.37
MAPT P10636 1/20 0.33
MAPK1 P28482 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
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL1343165 1.00 ALDH1A1 (0.40) ALDH1A1LMNAMAPTMAPK1CHRM1
SCHEMBL1345356 1.00 ALDH1A1 (0.40) ALDH1A1LMNAMAPTMAPK1CHRM1
SCHEMBL7603189 0.79 ALDH1A1 (0.41) ALDH1A1LMNAMAPTMAPK1CHRM1
SCHEMBL12246289 0.79 ALDH1A1 (0.38) ALDH1A1LMNAMAPTMAPK1
SCHEMBL17453526 0.79 ALDH1A1 (0.44) ALDH1A1LMNAMAPTMAPK1CHRM1
SCHEMBL28627424 0.78 ALDH1A1 (0.40) ALDH1A1LMNAMAPTMAPK1TDP1
SCHEMBL1342652 0.78 FAAH (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1344682 0.78 FAAH (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1342654 0.78 FAAH (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL12132617 0.76 ALDH1A1 (0.39) ALDH1A1LMNAMAPTMAPK1

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 3 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
US-20090192325-A1 ENANTIOMERICALLY RESOLVING ACYLOXYALKYL THIOCARBONATES USED IN SYNTHESIZING ACYLOXYALKYL CARBAMATE PRODRUGS XENOPORT, INC. (US) 2009-07-30 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 (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 ALDH1A1 814/4885LMNA 4118/4885MAPT 4849/4885

“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.