SCHEMBL5494937

SCHEMBL5494937

CCC(OC(C)=O)C(=O)OC[C@@H]1C=C[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
HSP90B1 P14625 2/20 0.46
AHCY P23526 8/20 0.44
MARS1 P56192 1/20 0.44
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
CYP2C19 P33261 1/20 0.42
HSP90AA1 P07900 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
TMIGD3 P0DMS9 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
NT5E P21589 1/20 0.41

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
SCHEMBL5496887 0.90 BCHE (0.37) BCHEHSP90B1AHCYMARS1ADORA2A
SCHEMBL6239243 0.88 BCHE (0.53) BCHEHSP90B1AHCYTSHRCYP2C19
SCHEMBL5858366 0.85 BCHE (0.51) BCHEHSP90B1AHCYMARS1ADORA3
SCHEMBL5494931 0.82 AHCY (0.46) HSP90B1AHCYTSHRMAPK1CYP2C19
SCHEMBL2955999 0.76 BCHE (0.42) BCHEHSP90B1AHCYMARS1ADORA3
SCHEMBL7153500 0.74 ADORA3 (0.57) AHCYMAPK1ADORA3ADORA2AADORA2B
SCHEMBL1980312 0.74 ADORA3 (0.57) AHCYMAPK1ADORA3ADORA2AADORA2B
SCHEMBL112551 0.74 ADORA3 (0.57) AHCYMAPK1ADORA3ADORA2AADORA2B
SCHEMBL5498025 0.74 EHMT1 (0.50) BCHEAHCYADORA2ARXFP1
SCHEMBL9218734 0.74 BCHE (0.51) BCHEHSP90B1AHCYMAPK1ADORA3

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-1654270-B1 PROCESS FOR PREPARING 2',3'-DIDEHYDRO-2',3'-DIDEOXYNUCLEOSIDES AND 2',3'-DIDEOXYNUCLEOSIDES ARCHIMICA SRL (IT) 2007-12-26 EP disclosed
US-20060199959-A1 Process for preparing 2',3'-didehydro-2'3'-dideoxynucleosides and 2',3'-dideoxynucleosides ARCHIMICA S.R.L. (IT) 2006-09-07 US disclosed
EP-1654270-A1 PROCESS FOR PREPARING 2',3'-DIDEHYDRO-2',3'-DIDEOXYNUCLEOSIDES AND 2',3'-DIDEOXYNUCLEOSIDES Clariant Life Science Molecules (Italia) S.p.A. (IT) 2006-05-10 EP disclosed
WO-2005012325-A1 PROCESS FOR PREPARING 2',3'-DIDEHYDRO-2',3'-DIDEOXYNUCLEOSIDES AND 2',3'-DIDEOXYNUCLEOSIDES CLARIANT LIFE SCIENCE MOLECULES (ITALIA) S.P.A. (IT) 2005-02-10 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-20060199959-A1 Process for preparing 2',3'-didehydro-2'3'-dideoxynucleosides and 2',3'-dideoxynucleosides DOHH, UMPS, DCPS BCHE 1098/4885HSP90B1 3820/4885AHCY 1343/4885

“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.