SCHEMBL1884858

SCHEMBL1884858

[CH2]CCNC(=O)OC(C)OC(=O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
NAAA Q02083 1/20 0.34
LMNA P02545 1/20 0.34
EPHX1 P07099 4/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL18848226 0.87 CTSK (0.39) CTSKSMN1; SMN2NAAALMNAEPHX1
SCHEMBL18848281 0.87 CTSK (0.39) CTSKSMN1; SMN2NAAALMNAEPHX1
SCHEMBL18848361 0.87 CTSK (0.39) CTSKSMN1; SMN2NAAALMNAEPHX1
SCHEMBL1883561 0.83 CTSK (0.38) CTSKSMN1; SMN2NAAALMNAEPHX1
SCHEMBL13943478 0.83 NAAA (0.39) CTSKSMN1; SMN2NAAALMNAEPHX1
SCHEMBL18848348 0.81 CHRNB2 (0.39) CTSKNAAAEPHX1
SCHEMBL18848250 0.81 CHRNB2 (0.39) CTSKNAAAEPHX1
SCHEMBL18660429 0.81 CTSK (0.35) CTSKSMN1; SMN2NAAALMNAEPHX1
SCHEMBL18660631 0.81 CTSK (0.35) CTSKSMN1; SMN2NAAALMNAEPHX1
SCHEMBL18660465 0.81 CTSK (0.35) CTSKSMN1; SMN2NAAALMNAEPHX1

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
WO-2008033572-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2008-03-20 WO claimed
US-7935686-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. (US) 2011-05-03 US disclosed
US-20090124582-A1 Acyloxyalkyl Carbamate Prodrugs, Methods of Synthesis, and Use XENOPORT, INC. (US) 2009-05-14 US disclosed
US-7494985-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. (US) 2009-02-24 US disclosed
US-20060111325-A1 Acyloxyalkyl carbamate prodrugs, 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-20060111325-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use APEH, AASDHPPT, AGPS CTSK 1842/4885SMN1; SMN2 900/4885NAAA 11/4885
US-20090124582-A1 Acyloxyalkyl Carbamate Prodrugs, Methods of Synthesis, and Use APEH, AASDHPPT, AGPS CTSK 1842/4885SMN1; SMN2 900/4885NAAA 11/4885

“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.