SCHEMBL1345748

SCHEMBL1345748

CCC(OC(=O)c1ccccc1)OC(C)=S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 4/20 0.45
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
F2 P00734 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
POLB P06746 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39

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
SCHEMBL416565 0.90 TSHR (0.57) TSHRTP53LMNAPDCD1CD274
SCHEMBL27782525 0.85 TSHR (0.52) TSHRTP53LMNAPDCD1CD274
SCHEMBL1459546 0.83 TSHR (0.53) TSHRTP53LMNAPDCD1CD274
SCHEMBL5152560 0.82 ESR1 (0.58) TSHRTP53LMNAPDCD1CD274
SCHEMBL13335240 0.81 TSHR (0.52) TSHRTP53LMNAPDCD1CD274
SCHEMBL9651258 0.81 TSHR (0.45) TSHRTP53LMNAPDCD1CD274
SCHEMBL28391084 0.80 TSHR (0.50) TSHRTP53LMNAPDCD1CD274
SCHEMBL16805838 0.79 PDCD1 (0.51) TSHRTP53LMNAPDCD1CD274
SCHEMBL9650729 0.78 TSHR (0.45) TSHRTP53LMNAPDCD1CD274
SCHEMBL1344718 0.78 TSHR (0.52) TSHRTP53LMNAPDCD1CD274

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 TSHR 1849/4885TP53 2996/4885LMNA 4118/4885

“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.