SCHEMBL2906499

SCHEMBL2906499

COC(=O)OCCCC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
FKBP1A P62942 4/20 0.53
NAAA Q02083 11/20 0.50

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
SCHEMBL698470 0.89 EPHX1 (0.46) EPHX1SMN1; SMN2FKBP1ANAAA
SCHEMBL4463802 0.89 EPHX1 (0.57) EPHX1SMN1; SMN2FKBP1ANAAA
SCHEMBL696982 0.87 EPHX1 (0.44) EPHX1SMN1; SMN2FKBP1ANAAA
SCHEMBL4476050 0.87 EPHX1 (0.54) EPHX1SMN1; SMN2FKBP1ANAAA
SCHEMBL698517 0.83 EPHX1 (0.40) EPHX1SMN1; SMN2FKBP1ANAAA
SCHEMBL2906497 0.82 EPHX1 (0.51) EPHX1SMN1; SMN2FKBP1ANAAA
SCHEMBL6931991 0.81 SMN1; SMN2 (0.56) EPHX1SMN1; SMN2FKBP1ANAAA
SCHEMBL19842292 0.81 SMN1; SMN2 (0.56) EPHX1SMN1; SMN2FKBP1ANAAA
SCHEMBL13686651 0.80 SMN1; SMN2 (0.51) EPHX1SMN1; SMN2FKBP1ANAAA
SCHEMBL8944571 0.79 EPHX1 (0.56) EPHX1SMN1; SMN2FKBP1ANAAA

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 EPHX1 3143/4885SMN1; SMN2 385/4885FKBP1A 218/4885

“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.