SCHEMBL6424993

SCHEMBL6424993

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.54
ADORA3 P0DMS8 10/20 0.53
ADORA1 P30542 6/20 0.47
ADORA2B P29275 4/20 0.47
ADA P00813 1/20 0.45
ALOX15 P16050 1/20 0.45
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL6838571 0.84 ADORA2A (0.56) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL6840000 0.83 ADORA2A (0.61) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL6838587 0.83 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL6426137 0.83 ADORA2A (0.38) ADORA2AADORA3OPRM1OPRL1DRD2
SCHEMBL2912457 0.82 ADORA2A (0.54) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL6426572 0.82 ADORA3 (0.37) ADORA2AADORA3ADORA1ADORA2BOPRM1
SCHEMBL6422652 0.82 ADORA3 (0.37) ADORA2AADORA3ADORA1ADORA2BOPRM1
SCHEMBL6838014 0.81 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL6837549 0.80 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL6425210 0.79 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2BADA

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 170/4885ADORA1 522/4885

“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.