SCHEMBL6319563

SCHEMBL6319563

CCC(CC)(OC(C)=O)C(=O)Br

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 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
SCHEMBL2474973 0.78 GAA (0.39) GAAALDH1A1LMNAHSD17B10
SCHEMBL4610366 0.76 GAA (0.38) GAAALDH1A1LMNAHSD17B10
SCHEMBL6313690 0.76 GAA (0.38) GAAALDH1A1LMNAHSD17B10
SCHEMBL6321209 0.74 GAA (0.52) GAAALDH1A1LMNAHSD17B10
SCHEMBL28056608 0.73 ALDH1A1 (0.32) ALDH1A1LMNAHSD17B10
Acetic Acid SCHEMBL9958361 0.71 GAA (0.34) GAAALDH1A1LMNAHSD17B10
SCHEMBL8420585 0.71 GAA (0.34) GAAALDH1A1LMNAHSD17B10
SCHEMBL11571210 0.70
SCHEMBL1455886 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL144976 0.69 GAA (0.44) GAAALDH1A1LMNAHSD17B10

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 10 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
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 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 (3 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 853/4885LMNA 696/4885
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR GAA 649/4885ALDH1A1 1506/4885LMNA 2720/4885
US-20050250946-A1 Method for the synthesis of 2',3'-dideoxy-2',3'-didehydronucleosides DUT, DERA, DUS2 GAA 491/4885ALDH1A1 837/4885LMNA 477/4885

“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.