SCHEMBL3975487

SCHEMBL3975487

CCC[C@@]1(CO)CCC(C)(C)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.44
PRKCA P17252 13/20 0.37
PRKCD Q05655 1/20 0.35
POLB P06746 1/20 0.31

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
SCHEMBL4076183 1.00 SIRT2 (0.44) SIRT2PRKCAPRKCDPOLB
SCHEMBL3420193 0.69
SCHEMBL4076179 0.67 ALOX12 (0.31)
SCHEMBL3975485 0.67 ALOX12 (0.31)
SCHEMBL25397359 0.64 SIRT2 (0.39) SIRT2
SCHEMBL8942878 0.64 SIRT2 (0.36) SIRT2PRKCA
SCHEMBL8942837 0.64 SIRT2 (0.36) SIRT2PRKCA
SCHEMBL7264368 0.64
SCHEMBL7262983 0.64
SCHEMBL7263919 0.64

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-2009052191-A1 INTERNALLY MASKED NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-04-23 WO disclosed
US-20090099253-A1 Internally Masked Neopentyl Sulfonyl Ester Cyclization Release Prodrugs of Acamprosate, Compositions Thereof, and Methods of Use XENOPORT, INC. (US) 2009-04-16 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-20090099253-A1 Internally Masked Neopentyl Sulfonyl Ester Cyclization Release Prodrugs of Acamprosate, Compositions Thereof, and Methods of Use SI, AASDHPPT, PSAP SIRT2 2211/4885PRKCA 3295/4885PRKCD 2724/4885

“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.