SCHEMBL26945187

SCHEMBL26945187

CC(C)C(=O)OC[C@@H]1C[C@@H](OP(=O)(O)O)[C@](C#N)(c2ccc3c(N)ncnn23)O1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.35
▸ POLRMT O00411 1/20 0.33
▸ RIPK1 Q13546 3/20 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
SCHEMBL26327649 0.84 TMPRSS2 (0.33) TMPRSS2
SCHEMBL12454229 0.81 POLRMT (0.38) TMPRSS2POLRMT
SCHEMBL24606306 0.81 TMPRSS2 (0.41) TMPRSS2POLRMTRIPK1
SCHEMBL25916466 0.79 TMPRSS2 (0.32) TMPRSS2RIPK1
Obeldesivir SCHEMBL27216326 0.79 TMPRSS2 (0.49) TMPRSS2POLRMTRIPK1
Obeldesivir SCHEMBL23959875 0.79 TMPRSS2 (0.49) TMPRSS2POLRMTRIPK1
SCHEMBL25918408 0.78 TMPRSS2 (0.36) TMPRSS2RIPK1
SCHEMBL24789693 0.78 POLRMT (0.38) TMPRSS2POLRMT
SCHEMBL29566128 0.78 TMPRSS2 (0.32) TMPRSS2RIPK1
SCHEMBL20144212 0.77 TMPRSS2 (0.37) TMPRSS2POLRMTRIPK1

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
WO-2023239665-A1 METHODS FOR TREATMENT OF VIRAL INFECTIONS INCLUDING SARS-COV-2 GILEAD SCIENCES, INC. (US) 2023-12-14 — — WO disclosed
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