SCHEMBL4056561

SCHEMBL4056561

CCOC(=O)C(=O)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 4/20 0.33
FAAH O00519 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLO1 Q04760 1/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 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
SCHEMBL2219015 0.82 ALDH1A1 (0.38) MAPTALDH1A1NPSR1GLO1TSHR
SCHEMBL6220404 0.81 GAA (0.43) GAAMAPTKDM4EALDH1A1NPSR1
SCHEMBL19755024 0.81 GLO1 (0.34) MAPTALDH1A1NPSR1GLO1TSHR
SCHEMBL31379463 0.81 GLO1 (0.34) MAPTALDH1A1NPSR1GLO1TSHR
SCHEMBL21744787 0.80 GLO1 (0.33) MAPTALDH1A1NPSR1GLO1LMNA
SCHEMBL22774724 0.77 GAA (0.41) GAAMAPTKDM4EKMT2AALDH1A1
SCHEMBL21391880 0.77 ALOX15 (0.33) ALOX15
SCHEMBL5725409 0.75 FAAH (0.33) GAAALDH1A1FAAHPOLBSMN1; SMN2
SCHEMBL3951695 0.75 ALDH1A1 (0.46) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL28558851 0.75 ALDH1A1 (0.37) GAAMAPTALDH1A1NPSR1GLO1

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
WO-2009033061-A1 MASKED CARBOXYLATE NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-03-12 WO disclosed
US-20090069419-A1 MASKED CARBOXYLATE NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-12 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-20090069419-A1 MASKED CARBOXYLATE NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, AASDHPPT, ACMSD CTDSP1 2706/4885GAA 38/4885MAPT 1649/4885

“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.