SCHEMBL6322006

SCHEMBL6322006

CCCC(C)(OC(C)=O)C(=O)Br

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ELANE P08246 1/20 0.32
ALDH1A1 P00352 3/20 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
SCHEMBL6321209 0.83 GAA (0.52) GAALMNAHSD17B10ALDH1A1
SCHEMBL6314947 0.81 GAA (0.56) GAALMNAHSD17B10ELANEALDH1A1
SCHEMBL6314370 0.79 GAA (0.54) GAALMNAHSD17B10ELANEALDH1A1
SCHEMBL1579162 0.73 GAA (0.50) GAALMNAHSD17B10ELANEALDH1A1
SCHEMBL12776904 0.73 GAA (0.50) GAALMNAHSD17B10ELANEALDH1A1
SCHEMBL11223353 0.71 GAA (0.43) GAALMNAHSD17B10ALDH1A1
SCHEMBL21542084 0.71 GAA (0.43) GAALMNAHSD17B10ALDH1A1
SCHEMBL12776902 0.70 GAA (0.46) GAALMNAHSD17B10ALDH1A1
SCHEMBL28349840 0.70 GAA (0.46) GAALMNAHSD17B10ALDH1A1
SCHEMBL21542085 0.70 GAA (0.46) GAALMNAHSD17B10ELANEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927291-B2 Method for the synthesis of 2′,3′-dideoxy-2′,3′-didehydronucleosides PHARMASSET, LTD. (US) 2005-08-09 US claimed
EP-1363927-A2 METHOD FOR THE SYNTHESIS OF 2',3'-DIDEOXY-2',3'-DIDEHYDRONUCLEOSIDES Pharmasset Limited (US) 2003-11-26 EP claimed
US-20020198224-A1 Method for the synthesis of 2',3'-dideoxy-2',3'-didehydronucleosides GILEAD PHARMASSET LLC 2002-12-26 US claimed
WO-2002070533-A2 METHOD FOR THE SYNTHESIS OF 2',3'-DIDEOXY-2',3'-DIDEHYDRONUCLEOSIDES PHARMASSET LTD. (BB) 2002-09-12 WO claimed
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 627/4885LMNA 696/4885HSD17B10 550/4885
US-20050250946-A1 Method for the synthesis of 2',3'-dideoxy-2',3'-didehydronucleosides DUT, DERA, DUS2 GAA 491/4885LMNA 477/4885HSD17B10 493/4885

“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.