SCHEMBL2907683

SCHEMBL2907683

CCCC(=O)O[CH]C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.41
ALDH1A1 P00352 2/20 0.40
EPHX1 P07099 2/20 0.33
SLC18A3 Q16572 1/20 0.33
EPHX2 P34913 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL696347 0.98 ALDH1A1 (0.41) NAAAALDH1A1EPHX1SLC18A3EPHX2
SCHEMBL2907813 0.85 NAAA (0.36) NAAAALDH1A1EPHX1EPHX2
SCHEMBL697219 0.82 NAAA (0.34) NAAAALDH1A1EPHX1EPHX2
SCHEMBL697964 0.79 CHRM2 (0.38) NAAAALDH1A1
SCHEMBL2905522 0.76 GRIK1 (0.35) ALDH1A1EPHX1
SCHEMBL2906496 0.75 HCAR2 (0.34) NAAAALDH1A1EPHX1KDM4E
SCHEMBL698468 0.74 ALDH1A1 (0.43) ALDH1A1
SCHEMBL698488 0.74
SCHEMBL2900646 0.74 CES2 (0.33) ALDH1A1EPHX1EPHX2KDM4E
SCHEMBL2908387 0.73 ATM (0.42) NAAAALDH1A1EPHX2

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 NAAA 171/4885ALDH1A1 1514/4885EPHX1 3143/4885

“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.