SCHEMBL3884162

SCHEMBL3884162

O=C(NCCCS(=O)O)OCCOC(=O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.41
HRH4 Q9H3N8 5/20 0.38
HRH3 Q9Y5N1 5/20 0.38
ALDH1A1 P00352 1/20 0.36
NAAA Q02083 1/20 0.35

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
SCHEMBL3895683 0.89 NAAA (0.35) ACHEHRH4HRH3ALDH1A1NAAA
SCHEMBL1884857 0.79 ALDH1A1 (0.40) ACHEHRH4HRH3ALDH1A1
SCHEMBL3883106 0.78 ALDH1A1 (0.34) ALDH1A1
SCHEMBL3884167 0.78 NAAA (0.36) NAAA
SCHEMBL1884821 0.76 ACHE (0.42) ACHEHRH4HRH3ALDH1A1NAAA
SCHEMBL3883733 0.76 ADRB2 (0.41) ALDH1A1
SCHEMBL3891100 0.76 ADRB2 (0.41) ALDH1A1
SCHEMBL6066161 0.76 ACHE (0.42) ACHEHRH4HRH3ALDH1A1NAAA
SCHEMBL1883560 0.76 ALDH1A1 (0.37) ACHEHRH4HRH3ALDH1A1
SCHEMBL3883788 0.75 ADRB2 (0.38) ALDH1A1

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
US-7566738-B2 Acyloxyalkyl carbamate prodrugs of sulfinic acids, methods of synthesis, and use XENOPORT, INC. (US) 2009-07-28 US disclosed
US-20080242723-A1 ACYLOXYALKYL CARBAMATE PRODRUGS OF SULFINIC ACIDS, METHODS OF SYNTHESIS, AND USE XENOPORT, INC. (US) 2008-10-02 US disclosed
US-20060111439-A1 Acyloxyalkyl carbamate prodrugs of sulfinic acids, methods of synthesis, and use XENOPORT, INC. 2006-05-25 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 (2 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-20080242723-A1 ACYLOXYALKYL CARBAMATE PRODRUGS OF SULFINIC ACIDS, METHODS OF SYNTHESIS, AND USE ASS1, APEH, ACMSD ACHE 450/4885HRH4 220/4885HRH3 550/4885
US-20060111439-A1 Acyloxyalkyl carbamate prodrugs of sulfinic acids, methods of synthesis, and use ASS1, APEH, ACMSD ACHE 450/4885HRH4 220/4885HRH3 550/4885

“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.