SCHEMBL12454229

SCHEMBL12454229

C[C@H]1C[C@@H](COP(=O)(O)O)O[C@@]1(C#N)c1ccc2c(N)ncnn12

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.38
▸ TMPRSS2 O15393 1/20 0.37
▸ PIK3CD O00329 5/20 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
SCHEMBL882530 0.86 TMPRSS2 (0.41) TMPRSS2PIK3CD
SCHEMBL24789693 0.84 POLRMT (0.38) POLRMTTMPRSS2PIK3CD
SCHEMBL18697904 0.84 TMPRSS2 (0.43) POLRMTTMPRSS2
SCHEMBL24074599 0.84 POLRMT (0.49) POLRMTTMPRSS2
SCHEMBL24791772 0.83 POLRMT (0.37) POLRMTTMPRSS2PIK3CD
SCHEMBL20078643 0.83 POLRMT (0.37) POLRMTTMPRSS2
SCHEMBL17719237 0.83 TMPRSS2 (0.50) POLRMTTMPRSS2
SCHEMBL10082720 0.82 BACE1 (0.34) TMPRSS2PIK3CD
SCHEMBL24606306 0.82 TMPRSS2 (0.41) POLRMTTMPRSS2PIK3CD
SCHEMBL20078677 0.81 TMPRSS2 (0.40) POLRMTTMPRSS2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130034521-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2013-02-07 — — US disclosed
US-8008264-B2 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-08-30 — — 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-20130034521-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, MTAP, SLC29A1 POLRMT 263/4885TMPRSS2 1945/4885PIK3CD 334/4885

“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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