SCHEMBL25315568

SCHEMBL25315568

CC(C)C(NC(=O)OC(C)(C)C)C(=O)Nc1ncnn2c([C@]3(C#N)OC(CO)[C@@H](C(C(=O)O)c4ccccc4)[C@H]3O)ccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.45
▸ CTSS P25774 2/20 0.35
▸ CTSK P43235 2/20 0.35
▸ BRD4 O60885 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ GLS O94925 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
SCHEMBL25317548 0.87 TMPRSS2 (0.44) TMPRSS2CTSSCTSKBRD4MEN1
SCHEMBL24917331 0.86 TMPRSS2 (0.44) TMPRSS2CTSSCTSKMEN1KMT2A
SCHEMBL24791298 0.83 TMPRSS2 (0.53) TMPRSS2CTSSCTSK
SCHEMBL25909955 0.82 TMPRSS2 (0.40) TMPRSS2CTSSCTSKMEN1KMT2A
SCHEMBL25917292 0.82 TMPRSS2 (0.44) TMPRSS2CTSSCTSKBRD4EGFR
SCHEMBL24917355 0.82 TMPRSS2 (0.44) TMPRSS2CTSSCTSKBRD4EGFR
SCHEMBL25315489 0.82 TMPRSS2 (0.62) TMPRSS2ATM
SCHEMBL24917215 0.81 TMPRSS2 (0.43) TMPRSS2CTSSCTSKBRD4
SCHEMBL24917179 0.81 TMPRSS2 (0.45) TMPRSS2CTSSCTSKBRD4EGFR
SCHEMBL25909498 0.81 TMPRSS2 (0.42) TMPRSS2CTSSCTSKBRD4EGFR

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-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-07-27 — — 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-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP TMPRSS2 100/4885CTSS 1351/4885CTSK 1444/4885

“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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