SCHEMBL2906496

SCHEMBL2906496

CCCOC(=O)O[CH]C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.34
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
NAAA Q02083 1/20 0.33
ADH1A P07327 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
EPHX1 P07099 2/20 0.32
THRB P10828 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2908387 0.90 ATM (0.42) HCAR2NAAAALDH1A1ATM
SCHEMBL698468 0.86 ALDH1A1 (0.43) ALDH1A1THRBATML3MBTL1
SCHEMBL696980 0.84 ALDH1A1 (0.44) ALDH1A1THRBATML3MBTL1
SCHEMBL698515 0.80 ALDH1A1 (0.44) HCAR2PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL4200003 0.78 TSHR (0.38) ALDH1A1GLAEPHX1
SCHEMBL697186 0.76 ALDH1A1 (0.48) HCAR2PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL2907683 0.75 NAAA (0.41) NAAAALDH1A1KDM4EEPHX1
SCHEMBL2907813 0.74 NAAA (0.36) NAAAALDH1A1EPHX1THRBATM
SCHEMBL9852667 0.74 TSHR (0.34) ALDH1A1THRB
SCHEMBL11589171 0.73 NAAA (0.50) PPM1BPTPN1PPP1CCNAAAALDH1A1

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
EP-2217564-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2010-08-18 EP disclosed
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-19 US disclosed
WO-2009033054-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-03-12 WO 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-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 HCAR2 427/4885PPM1B 3195/4885PTPN1 3713/4885

“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.