SCHEMBL3404696

SCHEMBL3404696

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nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
ELANE P08246 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
SCHEMBL2473035 1.00 TSHR (0.32) TSHRELANE
SCHEMBL13647266 0.89 TSHR (0.38) TSHRELANE
Ammonia Solution, Strong SCHEMBL31304789 0.86 TSHR (0.36) TSHRELANE
SCHEMBL7924887 0.82 TSHR (0.31) TSHR
SCHEMBL5987010 0.79 TSHR (0.50) TSHRELANE
SCHEMBL5986989 0.79 TSHR (0.50) TSHRELANE
SCHEMBL2473038 0.79 TSHR (0.32) TSHRELANE
SCHEMBL7601923 0.79 TSHR (0.50) TSHRELANE
SCHEMBL977881 0.78
SCHEMBL8003183 0.78

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250148-B1 CRYSTALLINE FORM OF CALCIUM-SALTS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACIDS AND METHODS OF USE XENOPORT INC (US) 2016-08-17 EP disclosed
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-2250148-A2 CRYSTALLINE FORM OF CALCIUM-SALTS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACIDS AND METHODS OF USE XenoPort, Inc. (US) 2010-11-17 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
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
US-20090192325-A1 ENANTIOMERICALLY RESOLVING ACYLOXYALKYL THIOCARBONATES USED IN SYNTHESIZING ACYLOXYALKYL CARBAMATE PRODRUGS XENOPORT, INC. (US) 2009-07-30 US disclosed
WO-2009094563-A2 CRYSTALLINE FORM OF CALCIUM-SALTS OF (3S)-AMINOMETHYL-B-METHYL-HEXANOIC ACIDS AND METHODS OF USE 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 1849/4885ELANE 641/4885

“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.