SCHEMBL25437454

SCHEMBL25437454

CC(=O)Nc1ncnn2c([C@]3(C#N)O[C@H](COC(C)=O)[C@H](O)[C@H]3O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.58
▸ XDH P47989 1/20 0.32
▸ EGLN2 Q96KS0 3/20 0.32

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
SCHEMBL25439354 0.91 TMPRSS2 (0.54) TMPRSS2XDH
SCHEMBL24789430 0.91 TMPRSS2 (0.54) TMPRSS2XDH
SCHEMBL24917188 0.90 TMPRSS2 (0.54) TMPRSS2XDH
SCHEMBL25910216 0.90 TMPRSS2 (0.54) TMPRSS2XDH
SCHEMBL24789731 0.90 TMPRSS2 (0.64) TMPRSS2XDHEGLN2
SCHEMBL24917614 0.89 TMPRSS2 (0.53) TMPRSS2
SCHEMBL24917022 0.89 TMPRSS2 (0.53) TMPRSS2
SCHEMBL24917118 0.89 TMPRSS2 (0.54) TMPRSS2
SCHEMBL24917116 0.89 TMPRSS2 (0.54) TMPRSS2
SCHEMBL25913879 0.89 TMPRSS2 (0.54) TMPRSS2

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-20230322813-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-10-12 — — US disclosed
WO-2023167938-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO 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-20230322813-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT TMPRSS2 112/4885XDH 94/4885EGLN2 771/4885

“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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