SCHEMBL6322226

SCHEMBL6322226

CCCC(=O)OC(C)(C)C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
TP53 P04637 1/20 0.34
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
FFAR3 O14843 3/20 0.33
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL6313766 0.88 ALDH1A1 (0.46) ALDH1A1TSHRLMNACES2CES1
SCHEMBL11797960 0.84 TSHR (0.50) ALDH1A1TSHRLMNACES2CES1
SCHEMBL11798021 0.84 TSHR (0.50) ALDH1A1TSHRLMNACES2CES1
SCHEMBL11793562 0.84 TSHR (0.50) ALDH1A1TSHRLMNACES2CES1
SCHEMBL11577758 0.84 TSHR (0.50) ALDH1A1TSHRLMNACES2CES1
SCHEMBL11799548 0.84 TSHR (0.50) ALDH1A1TSHRLMNACES2CES1
SCHEMBL6312664 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23292877 0.80 ALDH1A1 (0.48) ALDH1A1TSHRLMNACES2CES1
SCHEMBL14321023 0.80 ALDH1A1 (0.48) ALDH1A1TSHRLMNACES2CES1
SCHEMBL6314330 0.78 ALDH1A1 (0.46) ALDH1A1TSHRLMNACES2CES1

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 7 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
US-3998807-A ARABINOFURANOSYL CYTOSINES AND METHODS OF MAKING SYNTEX (U.S.A.) INC. (US) 1976-12-21 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 (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 853/4885TSHR 3167/4885LMNA 696/4885
US-20050250946-A1 Method for the synthesis of 2',3'-dideoxy-2',3'-didehydronucleosides DUT, DERA, DUS2 ALDH1A1 837/4885TSHR 3180/4885LMNA 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.