SCHEMBL3954358

SCHEMBL3954358

C=CCC(C)(C)CC(CCS(=O)(=O)O)NC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 3/20 0.35

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
SCHEMBL3951444 0.87 PLA2G2C (0.33) PLA2G2C
SCHEMBL3951426 0.86 PLA2G2C (0.36) PLA2G2C
SCHEMBL3953473 0.82 PLA2G2C (0.35) PLA2G2C
SCHEMBL3960297 0.80 PLA2G2C (0.34) PLA2G2C
Hydrochloric Acid SCHEMBL3954249 0.80 PLA2G2C (0.34) PLA2G2C
SCHEMBL3949838 0.80 PLA2G2C (0.34) PLA2G2C
SCHEMBL3957758 0.79 PLA2G2C (0.37) PLA2G2C
SCHEMBL3954061 0.79 PLA2G2C (0.36) PLA2G2C
Hydrochloric Acid SCHEMBL3959400 0.79 PLA2G2C (0.33) PLA2G2C
SCHEMBL3962063 0.78 PLA2G2C (0.35) PLA2G2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009033061-A1 MASKED CARBOXYLATE NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-03-12 WO disclosed
US-20090069419-A1 MASKED CARBOXYLATE NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-12 US 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-20090069419-A1 MASKED CARBOXYLATE NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, AASDHPPT, ACMSD PLA2G2C 2992/4885

“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.