SCHEMBL13532503

SCHEMBL13532503

CCCCO[C@H]1[C@@H](OCCCC)[C@](CO)(c2ccc3c(N)ncnn23)O[C@@H]1CO

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ POLRMT O00411 1/20 0.30
▸ TMPRSS2 O15393 1/20 0.30

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
SCHEMBL12454580 0.92 — —
SCHEMBL13532039 0.83 TNK2 (0.33) ADORA2AADORA2BPOLRMT
SCHEMBL13532547 0.82 — —
SCHEMBL10142421 0.80 — —
SCHEMBL10143786 0.80 — —
SCHEMBL10142123 0.78 — —
SCHEMBL16519897 0.77 TMPRSS2 (0.41) ADORA2AADORA2BPOLRMTTMPRSS2
SCHEMBL12392910 0.77 TMPRSS2 (0.41) ADORA2AADORA2BPOLRMTTMPRSS2
SCHEMBL25822075 0.76 RIPK1 (0.30) —
SCHEMBL25822069 0.76 — —

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-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-01-28 — — 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-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, MTAP, SLC29A1 ADORA2A 93/4885ADORA2B 446/4885POLRMT 263/4885

“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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