SCHEMBL3397611

SCHEMBL3397611

C[C@@H](OC([O])=O)OC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
TP53 P04637 1/20 0.55
PDCD1 Q15116 1/20 0.53
CD274 Q9NZQ7 1/20 0.53
NPC1 O15118 5/20 0.50
LMNA P02545 4/20 0.50
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
F2 P00734 1/20 0.48
POLB P06746 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL6660758 0.92 TSHR (0.63) TSHRTP53PDCD1CD274NPC1
Acetic Acid SCHEMBL1273751 0.88 TSHR (0.59) TSHRTP53PDCD1CD274NPC1
SCHEMBL3960239 0.86 TSHR (0.57) TSHRTP53PDCD1CD274NPC1
SCHEMBL12922990 0.85 TSHR (0.55) TSHRTP53PDCD1CD274NPC1
SCHEMBL5986325 0.85 TSHR (0.55) TSHRTP53PDCD1CD274NPC1
SCHEMBL977918 0.84 NPC1 (0.50) TSHRTP53PDCD1CD274NPC1
SCHEMBL12923003 0.84 NPC1 (0.50) TSHRTP53PDCD1CD274NPC1
SCHEMBL5152870 0.83 CA12 (0.67) TSHRTP53PDCD1CD274NPC1
SCHEMBL823029 0.82 TSHR (0.57) TSHRTP53PDCD1CD274NPC1
SCHEMBL4418738 0.82 TSHR (0.57) TSHRTP53PDCD1CD274NPC1

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
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
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 2996/4885PDCD1 4693/4885

“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.