SCHEMBL6315329

SCHEMBL6315329

CC(=O)OC(C)(C)C(=O)I

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.33
TSHR P16473 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
SCHEMBL359138 0.77 GAA (0.52) GAAALDH1A1TSHR
SCHEMBL4464867 0.74 GAA (0.44) GAAALDH1A1TSHR
SCHEMBL5201001 0.72 GAA (0.42) GAAALDH1A1TSHR
SCHEMBL2717509 0.72 GAA (0.42) GAAALDH1A1TSHR
SCHEMBL317990 0.72 GAA (0.42) GAAALDH1A1TSHR
Hydrochloric Acid SCHEMBL338771 0.72 GAA (0.42) GAAALDH1A1TSHR
SCHEMBL18253 0.72 GAA (0.42) GAAALDH1A1TSHR
Bromide SCHEMBL9125384 0.72 GAA (0.42) GAAALDH1A1TSHR
SCHEMBL15125085 0.71
SCHEMBL18494799 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250946-A1 Method for the synthesis of 2',3'-dideoxy-2',3'-didehydronucleosides PHARMASSET, INC. 2005-11-10 US disclosed
US-6927291-B2 Method for the synthesis of 2′,3′-dideoxy-2′,3′-didehydronucleosides PHARMASSET, LTD. (US) 2005-08-09 US disclosed
EP-1363927-A2 METHOD FOR THE SYNTHESIS OF 2',3'-DIDEOXY-2',3'-DIDEHYDRONUCLEOSIDES Pharmasset Limited (US) 2003-11-26 EP disclosed
US-20020198224-A1 Method for the synthesis of 2',3'-dideoxy-2',3'-didehydronucleosides GILEAD PHARMASSET LLC 2002-12-26 US disclosed
WO-2002070533-A2 METHOD FOR THE SYNTHESIS OF 2',3'-DIDEOXY-2',3'-DIDEHYDRONUCLEOSIDES PHARMASSET LTD. (BB) 2002-09-12 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 (2 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-20020198224-A1 Method for the synthesis of 2',3'-dideoxy-2',3'-didehydronucleosides DUT, DUS2, DERA GAA 627/4885ALDH1A1 853/4885TSHR 3167/4885
US-20050250946-A1 Method for the synthesis of 2',3'-dideoxy-2',3'-didehydronucleosides DUT, DERA, DUS2 GAA 491/4885ALDH1A1 837/4885TSHR 3180/4885

“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.