SCHEMBL19779237

SCHEMBL19779237

CC(C)(C)OC(=O)Nc1ncnn2c([C@@H]3O[C@@H]4C(O)[C@@]45OC(C)(C)O[C@@H]35)ccc12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.34
▸ EGLN2 Q96KS0 3/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OGFRL1 Q5TC84 1/20 0.31
▸ TMPRSS2 O15393 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
SCHEMBL19779081 0.89 NPSR1 (0.32) NPSR1
SCHEMBL19779096 0.81 NPSR1 (0.32) NPSR1EGLN2TMPRSS2
SCHEMBL16710444 0.79 NPSR1 (0.32) NPSR1EGLN2TMPRSS2
SCHEMBL26288320 0.79 EGLN2 (0.33) NPSR1EGLN2OPRM1OPRD1OGFRL1
SCHEMBL16710859 0.79 NPSR1 (0.32) NPSR1EGLN2TMPRSS2
SCHEMBL16710860 0.78 TMPRSS2 (0.38) NPSR1EGLN2OPRM1OPRD1OGFRL1
SCHEMBL19779084 0.77 POLRMT (0.39) —
SCHEMBL19779218 0.77 NPSR1 (0.30) NPSR1
SCHEMBL16708538 0.77 NPSR1 (0.31) NPSR1EGLN2TMPRSS2
SCHEMBL16710445 0.77 NPSR1 (0.31) NPSR1EGLN2TMPRSS2

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-20180016280-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES, INC. 2018-01-18 — — 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-20180016280-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS SYNJ1, SARS1, SYNJ2 NPSR1 508/4885EGLN2 1181/4885OPRM1 4190/4885

“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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