SCHEMBL6313766

SCHEMBL6313766

CCCCC(=O)OC(C)(C)C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TP53 P04637 1/20 0.46
DGKA P23743 1/20 0.39
CES1 P23141 2/20 0.39
CES2 O00748 1/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.37
PAM P19021 2/20 0.36
CA1 P00915 1/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
DNM1 Q05193 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
SCHEMBL11797960 0.92 TSHR (0.50) ALDH1A1DGKACES1CES2TSHR
SCHEMBL11798021 0.92 TSHR (0.50) ALDH1A1DGKACES1CES2TSHR
SCHEMBL11793562 0.92 TSHR (0.50) ALDH1A1DGKACES1CES2TSHR
SCHEMBL11799548 0.92 TSHR (0.50) ALDH1A1DGKACES1CES2TSHR
SCHEMBL11577758 0.92 TSHR (0.50) ALDH1A1DGKACES1CES2TSHR
SCHEMBL6322226 0.88 ALDH1A1 (0.46) ALDH1A1TP53CES1CES2TSHR
SCHEMBL11792756 0.84 FAAH (0.51) TP53DGKACES1LMNAMAPT
SCHEMBL7684299 0.84 FAAH (0.51) TP53DGKACES1LMNAMAPT
SCHEMBL7684306 0.84 FAAH (0.51) TP53DGKACES1LMNAMAPT
SCHEMBL6313594 0.80 DGKA (0.39) ALDH1A1TP53DGKACES1CES2

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 6 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
CN-1505635-A Synthesis method of 2 ', 3' -dideoxy-2 ', 3' -didehydronucleoside 2004-06-16 CN 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 ALDH1A1 853/4885TP53 4163/4885DGKA 486/4885
US-20050250946-A1 Method for the synthesis of 2',3'-dideoxy-2',3'-didehydronucleosides DUT, DERA, DUS2 ALDH1A1 837/4885TP53 4104/4885DGKA 254/4885

“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.