SCHEMBL3887953

SCHEMBL3887953

CCCC(=O)OCOC(=O)NCCC(F)S(=O)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALDH1A1 P00352 1/20 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
SCHEMBL3887891 0.84 ACHE (0.36) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3893762 0.81 LMNA (0.31) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3882971 0.81 MEN1 (0.31)
SCHEMBL1881409 0.78 LPAR2 (0.41) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3884111 0.75 ACHE (0.45) ACHE
SCHEMBL3887951 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5006776 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL18848271 0.74 ACHE (0.44) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1888660 0.72 ACHE (0.43) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1884364 0.72 ACHE (0.35) ACHECHRNB2CHRNB4CHRNA3CHRNA4

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 450/4885CHRNB2 2556/4885CHRNB4 3148/4885
US-20060111439-A1 Acyloxyalkyl carbamate prodrugs of sulfinic acids, methods of synthesis, and use ASS1, APEH, ACMSD ACHE 450/4885CHRNB2 2556/4885CHRNB4 3148/4885

“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.