SCHEMBL6426137

SCHEMBL6426137

OC[C@H]1O[C@@H](n2cnc3ccccc32)[C@@](O)(C(F)(F)F)[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.38
ADORA3 P0DMS8 4/20 0.38
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
IKZF3 Q9UKT9 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3A Q14432 1/20 0.34
SLC29A1 Q99808 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KMT2A Q03164 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
SCHEMBL6424993 0.83 ADORA2A (0.54) ADORA2AADORA3OPRM1OPRL1DRD2
SCHEMBL6422652 0.80 ADORA3 (0.37) ADORA2AADORA3DDB1CRBNIKZF3
SCHEMBL6426572 0.80 ADORA3 (0.37) ADORA2AADORA3DDB1CRBNIKZF3
SCHEMBL8371824 0.75 ADORA3 (0.56) ADORA2AADORA3LMNATSHRHTT
SCHEMBL8368934 0.75 ADORA3 (0.56) ADORA2AADORA3LMNATSHRHTT
SCHEMBL30195858 0.75 ADORA3 (0.56) ADORA2AADORA3LMNATSHRHTT
SCHEMBL31265252 0.75 ADORA3 (0.56) ADORA2AADORA3LMNATSHRHTT
SCHEMBL8047049 0.75 ADORA3 (0.56) ADORA2AADORA3LMNATSHRHTT
SCHEMBL1319619 0.75 ADORA3 (0.56) ADORA2AADORA3LMNATSHRHTT
SCHEMBL1001272 0.75 ADORA3 (0.56) ADORA2AADORA3LMNATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501850-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2005-02-02 EP claimed
US-20040063658-A1 Nucleoside derivatives for treating hepatitis C virus infection GENELABS TECHNOLOGIES, INC. 2004-04-01 US claimed
WO-2003093290-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2003-11-13 WO claimed

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-20040063658-A1 Nucleoside derivatives for treating hepatitis C virus infection HAVCR2, PNP, NTPCR ADORA2A 174/4885ADORA3 170/4885DDB1 583/4885

“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.