SCHEMBL26832567

SCHEMBL26832567

CC(C)COC(=O)Nc1ncnn2c([C@@H]3O[C@H](CO)[C@H]4OC(C)(C)O[C@H]43)ccc12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.37
▸ LCK P06239 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PI4KA P42356 1/20 0.31
▸ PI4K2B Q8TCG2 1/20 0.31
▸ PI4K2A Q9BTU6 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL16710860 0.86 TMPRSS2 (0.38) TMPRSS2PI4KAPI4K2BPI4K2API4KB
SCHEMBL16698763 0.86 TMPRSS2 (0.40) TMPRSS2PI4KAPI4K2BPI4K2API4KB
SCHEMBL26239498 0.84 LCK (0.33) TMPRSS2LCKKDRMAPK1
SCHEMBL26823411 0.82 TMPRSS2 (0.35) TMPRSS2LCKKDR
SCHEMBL26235345 0.80 LCK (0.35) TMPRSS2LCKKDRMAPK1
SCHEMBL26237130 0.77 MAOB (0.31) TMPRSS2LCKKDRMAPK1
SCHEMBL16708535 0.77 PI4KA (0.39) TMPRSS2PI4KAPI4K2BPI4K2API4KB
SCHEMBL26823086 0.77 TMPRSS2 (0.40) TMPRSS2LCKKDRMAPK1
SCHEMBL19779236 0.76 CYP3A4 (0.34) TMPRSS2
SCHEMBL16710454 0.76 PI4KA (0.47) TMPRSS2PI4KAPI4K2BPI4K2API4KB

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-20230382940-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. 2023-11-30 — — 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-20230382940-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME EIF2AK2, MAVS, ZC3HAV1 TMPRSS2 553/4885LCK 2502/4885KDR 4246/4885

“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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