SCHEMBL23034569

SCHEMBL23034569

N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](COCOc2ccccc2)C[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.36
▸ POLRMT O00411 1/20 0.32
▸ TNK2 Q07912 3/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL18636432 0.90 TMPRSS2 (0.36) TMPRSS2POLRMTTNK2
SCHEMBL18636477 0.84 TMPRSS2 (0.45) TMPRSS2POLRMTTNK2PRMT5WDR77
SCHEMBL10153929 0.83 TMPRSS2 (0.44) TMPRSS2POLRMT
SCHEMBL24606306 0.83 TMPRSS2 (0.41) TMPRSS2POLRMT
SCHEMBL20078677 0.82 TMPRSS2 (0.40) TMPRSS2POLRMT
SCHEMBL24789693 0.80 POLRMT (0.38) TMPRSS2POLRMT
SCHEMBL10082720 0.80 BACE1 (0.34) TMPRSS2TNK2
SCHEMBL26004157 0.80 TMPRSS2 (0.41) TMPRSS2POLRMTTNK2PRMT5WDR77
SCHEMBL24074599 0.80 POLRMT (0.49) TMPRSS2POLRMT
SCHEMBL26003209 0.79 TMPRSS2 (0.37) TMPRSS2POLRMTPRMT5WDR77

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-11266666-B2 Methods for treating Filoviridae virus infections GILEAD SCIENCES, INC. (US) 2022-03-08 — — US disclosed
US-20210052613-A1 METHODS FOR TREATING FILOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2021-02-25 — — 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 (2 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-20210052613-A1 METHODS FOR TREATING FILOVIRIDAE VIRUS INFECTIONS PNP, PRPF4, RPIA TMPRSS2 1951/4885POLRMT 104/4885TNK2 2705/4885
US-11266666-B2 Methods for treating Filoviridae virus infections PNP, PRPF4, RPIA TMPRSS2 1951/4885POLRMT 104/4885TNK2 2705/4885

“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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