SCHEMBL2907157

SCHEMBL2907157

[CH2]CCCOC(=O)Oc1ccccc1C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 3/20 0.47
CYP3A4 P08684 3/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
PTGS2 P35354 1/20 0.46
ELANE P08246 2/20 0.46
LMNA P02545 1/20 0.46
TBXAS1 P24557 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK10 P53779 1/20 0.41

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
SCHEMBL4199471 0.92 TSHR (0.56) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL5706000 0.89 TSHR (0.62) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL5706189 0.88 TSHR (0.63) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL5706042 0.86 ALDH1A1 (0.64) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL7210188 0.86 ALDH1A1 (0.64) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL4200313 0.86 TSHR (0.59) TSHRL3MBTL1ALDH1A1HSD17B10CYP3A4
SCHEMBL4391361 0.85 TSHR (0.67) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL1283310 0.84 TSHR (0.69) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL4398193 0.83 TSHR (0.71) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL5706014 0.82 TSHR (0.54) TSHRTDP1L3MBTL1ALDH1A1HSD17B10

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 TSHR 2112/4885TDP1 2099/4885L3MBTL1 4678/4885

“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.