SCHEMBL2906456

SCHEMBL2906456

CCCOC(=O)O[CH]c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
ALOX5 P09917 1/20 0.40
FAAH O00519 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 2/20 0.39
ESR1 P03372 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
KDR P35968 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL2544758 0.90 TSHR (0.51) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL2900868 0.86 MEN1 (0.56) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL7534897 0.83 LMNA (0.49) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL2907535 0.78 ALDH1A1 (0.50) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL2907648 0.76 KMT2A (0.44) ALDH1A1KMT2AHPGDSMN1; SMN2GAA
SCHEMBL2903566 0.75 MEN1 (0.43) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL3938923 0.75 LMNA (0.55) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL365814 0.74 TDP1 (0.53) LMNAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2903284 0.74 MEN1 (0.46) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15673470 0.74 KMT2A (0.74) LMNAALDH1A1MEN1KMT2AHPGD

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 LMNA 2544/4885ALDH1A1 1514/4885MEN1 1102/4885

“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.