SCHEMBL3884167

SCHEMBL3884167

CC(OC(=O)NCCCS(=O)O)OC(=O)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.36
CTSK P43235 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.32
EPHX2 P34913 4/20 0.32
SIGMAR1 Q99720 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 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
SCHEMBL18848281 0.81 CTSK (0.39) NAAACTSKSMN1; SMN2LMNA
SCHEMBL18848361 0.81 CTSK (0.39) NAAACTSKSMN1; SMN2LMNA
SCHEMBL18848226 0.81 CTSK (0.39) NAAACTSKSMN1; SMN2LMNA
SCHEMBL1884858 0.80 CTSK (0.38) NAAACTSKSMN1; SMN2LMNASIGMAR1
SCHEMBL13943478 0.80 NAAA (0.39) NAAACTSKSMN1; SMN2LMNAEPHX2
SCHEMBL3883112 0.80 CTSK (0.34) CTSKSMN1; SMN2LMNA
SCHEMBL1884824 0.79 NAAA (0.35) NAAACTSKSMN1; SMN2LMNAEPHX2
SCHEMBL18848348 0.79 CHRNB2 (0.39) NAAACTSK
SCHEMBL18848250 0.79 CHRNB2 (0.39) NAAACTSK
SCHEMBL18848276 0.79 CHRNB2 (0.39) NAAACTSK

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 NAAA 24/4885CTSK 1480/4885SMN1; SMN2 210/4885
US-20060111439-A1 Acyloxyalkyl carbamate prodrugs of sulfinic acids, methods of synthesis, and use ASS1, APEH, ACMSD NAAA 24/4885CTSK 1480/4885SMN1; SMN2 210/4885

“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.