SCHEMBL3885591

SCHEMBL3885591

CCCC(=O)OC(C)OC(=O)NCCCS(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.35
EPHX1 P07099 1/20 0.35
LMNA P02545 2/20 0.34
ALOX15 P16050 1/20 0.34
CASP2 P42575 1/20 0.32
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 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
SCHEMBL15927269 0.82 ACHE (0.32) ACHEEPHX1ALOX15KMT2A
SCHEMBL3883873 0.81 ACHE (0.34) ACHEEPHX1LMNAALOX15ALDH1A1
SCHEMBL3882369 0.80 CHRNB2 (0.31) LMNAALDH1A1
SCHEMBL18848363 0.79 ALDH1A1 (0.36) ACHEEPHX1LMNAALOX15ALDH1A1
SCHEMBL18848221 0.79 ALDH1A1 (0.36) ACHEEPHX1LMNAALOX15ALDH1A1
SCHEMBL18848280 0.79 ALDH1A1 (0.36) ACHEEPHX1LMNAALOX15ALDH1A1
SCHEMBL3894832 0.79 MEN1 (0.34) KMT2A
SCHEMBL3893762 0.78 LMNA (0.31) LMNA
SCHEMBL3884111 0.78 ACHE (0.45) ACHEEPHX1EPHX2
SCHEMBL1883974 0.78 ALDH1A1 (0.35) ACHEEPHX1LMNAALOX15ALDH1A1

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 2 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-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 (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-20060111439-A1 Acyloxyalkyl carbamate prodrugs of sulfinic acids, methods of synthesis, and use ASS1, APEH, ACMSD ACHE 450/4885EPHX1 987/4885LMNA 3674/4885

“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.