SCHEMBL1345013

SCHEMBL1345013

CC(=S)OCCCCOC(=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
TSHR P16473 3/20 0.34
NAAA Q02083 1/20 0.33
EPHX1 P07099 1/20 0.31
CYP3A4 P08684 1/20 0.31
ACHE P22303 4/20 0.31

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
SCHEMBL1342764 0.91 ALDH1A1 (0.33) ALDH1A1CA12CA1CA2CA9
SCHEMBL27982814 0.84 NAAA (0.44) ALDH1A1TSHRNAAAEPHX1CYP3A4
SCHEMBL8421539 0.84 NAAA (0.44) ALDH1A1TSHRNAAAEPHX1CYP3A4
SCHEMBL9480850 0.81 ALDH1A1 (0.40) ALDH1A1TSHRNAAAEPHX1CYP3A4
SCHEMBL27525356 0.81 CA12 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL11849752 0.78 PAOX (0.41) ALDH1A1TSHRNAAAACHE
SCHEMBL2608196 0.78 TSHR (0.42) ALDH1A1TSHRNAAAEPHX1CYP3A4
SCHEMBL2532484 0.77 ACHE (0.44) ALDH1A1TSHRNAAAEPHX1CYP3A4
SCHEMBL332803 0.77 NAAA (0.56) ALDH1A1CA12CA1CA2CA9
SCHEMBL17453513 0.77 ALDH1A1 (0.46) ALDH1A1TSHRNAAAEPHX1CYP3A4

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 ALDH1A1 814/4885CA12 900/4885CA1 777/4885

“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.