SCHEMBL5044476

SCHEMBL5044476

Cc1ccccc1C(=O)C(O)[C@@H]1OC(=O)C[C@]1(O)C(=O)c1ccccc1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTT P42858 1/20 0.33
CASP1 P29466 1/20 0.32
CASP8 Q14790 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ITGB1 P05556 1/20 0.32
ITGA5 P08648 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CXCR5 P32302 1/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
P2RX7 Q99572 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 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
SCHEMBL3395341 0.78 HTT (0.33) SLC6A2SLC6A4SLC6A3HTTALDH1A1
SCHEMBL3390440 0.78 ALDH1A1 (0.34) SLC6A2SLC6A4SLC6A3HTTALDH1A1
SCHEMBL2493301 0.77 NPC1 (0.33) SLC6A2SLC6A4SLC6A3HTTALDH1A1
SCHEMBL2907033 0.77 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3HTTALDH1A1
SCHEMBL594792 0.77 NPC1 (0.33) SLC6A2SLC6A4SLC6A3HTTALDH1A1
SCHEMBL8960840 0.77 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3HTTALDH1A1
SCHEMBL5707587 0.77 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3HTTALDH1A1
SCHEMBL4986617 0.77 NPC1 (0.33) SLC6A2SLC6A4SLC6A3HTTALDH1A1
SCHEMBL6842407 0.77 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3HTTALDH1A1
SCHEMBL5679849 0.76 LMNA (0.33) SLC6A2SLC6A4SLC6A3HTTCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1639121-A4 SYNTHESIS OF BETA -L-2-DEOXY NUCLEOSIDES IDENIX CAYMAN LTD (KY) 2008-04-16 EP disclosed
EP-1639121-A2 SYNTHESIS OF BETA -L-2-DEOXY NUCLEOSIDES Idenix (Cayman) Limited (KY) 2006-03-29 EP disclosed
US-20050059632-A1 Synthesis of beta-L-2'-deoxy nucleosides NOVARTIS AG (CH) 2005-03-17 US disclosed
WO-2005003374-A2 SYNTHESIS OF β-L-2-DEOXY NUCLEOSIDES IDENIX (CAYMAN) LIMITED (KY) 2005-01-13 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 (1 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-20050059632-A1 Synthesis of beta-L-2'-deoxy nucleosides DUT, DERA, RNASEL SLC6A2 1155/4885SLC6A4 1967/4885SLC6A3 1372/4885

“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.