SCHEMBL20078672

SCHEMBL20078672

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

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.36
▸ 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
SCHEMBL18636437 0.89 TMPRSS2 (0.43) TMPRSS2
SCHEMBL18636474 0.86 TMPRSS2 (0.31) TMPRSS2
SCHEMBL20878404 0.85 TMPRSS2 (0.32) TMPRSS2
SCHEMBL21283650 0.84 CYP3A4 (0.33) TMPRSS2RIPK1
SCHEMBL18636611 0.83 TMPRSS2 (0.34) TMPRSS2
SCHEMBL20078702 0.83 TMPRSS2 (0.33) TMPRSS2RIPK1
SCHEMBL26295060 0.82 TMPRSS2 (0.43) TMPRSS2
SCHEMBL26327372 0.82 TMPRSS2 (0.31) TMPRSS2RIPK1
SCHEMBL20078677 0.81 TMPRSS2 (0.40) TMPRSS2RIPK1
SCHEMBL10154198 0.81 TMPRSS2 (0.36) TMPRSS2RIPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219513-A1 CRYSTALLINE FORM OF (S)-2-ETHYLBUTYL 2-(((S)-(((2R,3S,4R,5R)-5-(4-AMINOPYRROLO[2,1-F] [1,2,4]TRIAZIN-7-YL)-5-CYANO-3,4-DIHYDROXYTETRAHYDROFURAN2-YL)METHOXY)(PHENOXY) PHOSPHORYL)AMINO)PROPANOATE Gilead Sciences, Inc. (US) 2023-08-02 — — EP disclosed
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
US-9949994-B2 Methods for treating Filoviridae virus infections GILEAD SCIENCES, INC. (US) 2018-04-24 — — 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 1951/4885RIPK1 2292/4885
US-11266666-B2 Methods for treating Filoviridae virus infections PNP, PRPF4, RPIA TMPRSS2 1951/4885RIPK1 2292/4885

“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.

Send feedback