SCHEMBL16152065

SCHEMBL16152065

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

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.32
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL16151518 0.93 TMPRSS2 (0.31) TMPRSS2
SCHEMBL12393223 0.92 CA12 (0.37) TMPRSS2CA12CA1CA2CA9
SCHEMBL12393406 0.85 CA12 (0.36) TMPRSS2CA12CA1CA2CA9
SCHEMBL21283649 0.84 TMPRSS2 (0.41) TMPRSS2
SCHEMBL10142507 0.82 POLRMT (0.38) TMPRSS2
SCHEMBL24119311 0.80 TMPRSS2 (0.43) TMPRSS2CA12CA1CA2CA9
SCHEMBL10120864 0.80 TMPRSS2 (0.43) TMPRSS2CA12CA1CA2CA9
SCHEMBL22096273 0.78 CA12 (0.36) TMPRSS2CA12CA1CA2CA9
SCHEMBL10142499 0.78 POLRMT (0.47) —
SCHEMBL22646485 0.78 TMPRSS2 (0.42) TMPRSS2CA12CA1CA2CA9

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-RE46762-E1 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC (US) 2018-03-27 — — US disclosed
US-8853171-B2 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2014-10-07 — — US disclosed
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