SCHEMBL6838533

SCHEMBL6838533

CC1(O)C(O)C(CO)OC1N1C=CC(NN)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.39
▸ ADA P00813 1/20 0.37
▸ ADORA3 P0DMS8 5/20 0.34
▸ ADORA2B P29275 3/20 0.34
▸ ADORA1 P30542 3/20 0.34
▸ CDA P32320 7/20 0.33
▸ ALOX15 P16050 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
SCHEMBL31541828 0.75 ADORA2A (0.41) ADORA2AADAADORA3ADORA2BADORA1
SCHEMBL21418885 0.73 ADORA2A (0.39) ADORA2AADAADORA3ADORA2BADORA1
SCHEMBL15074395 0.73 CDA (0.46) CDA
SCHEMBL14583693 0.70 ADORA2A (0.38) ADORA2AADAADORA3ADORA2BADORA1
SCHEMBL15187536 0.70 ADORA2A (0.38) ADORA2AADAADORA3ADORA2BADORA1
SCHEMBL18875014 0.70 ADORA2A (0.38) ADORA2AADAADORA3ADORA2BADORA1
SCHEMBL23225546 0.68 ADORA2A (0.39) ADORA2AADAADORA3ADORA2BADORA1
SCHEMBL15070549 0.68 CDA (0.49) CDA
SCHEMBL19537499 0.68 ADORA2A (0.39) ADORA2AADAADORA3ADORA2BADORA1
SCHEMBL16643735 0.68 CDA (0.49) CDA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063658-A1 Nucleoside derivatives for treating hepatitis C virus infection GENELABS TECHNOLOGIES, INC. 2004-04-01 — — 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 (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 174/4885ADA 13/4885ADORA3 170/4885

“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.

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