SCHEMBL24917918

SCHEMBL24917918

CC(C)(C)[C@H](N)C(=O)OC[C@H]1C[C@@](C#N)(c2ccc3c(NC(=O)CC4CCCCC4)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.35
▸ TSHR P16473 1/20 0.32
▸ EGLN2 Q96KS0 2/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALPL P05186 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ EPHX2 P34913 1/20 0.30
▸ NAMPT P43490 2/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ ANO1 Q5XXA6 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
SCHEMBL24917867 0.86 TMPRSS2 (0.32) TMPRSS2
SCHEMBL24791007 0.84 TMPRSS2 (0.49) TMPRSS2TSHREGLN2GSK3B
SCHEMBL25914684 0.84 TMPRSS2 (0.49) TMPRSS2TSHREGLN2GSK3B
SCHEMBL24917360 0.83 DOT1L (0.33) TMPRSS2
SCHEMBL24916998 0.83 DOT1L (0.33) TMPRSS2
SCHEMBL25914691 0.81 TMPRSS2 (0.36) TMPRSS2KMT2AMEN1ALPLPOLB
SCHEMBL24916985 0.81 — —
SCHEMBL24917295 0.78 TMPRSS2 (0.35) TMPRSS2GSK3B
SCHEMBL24917912 0.77 — —
SCHEMBL24917082 0.76 TMPRSS2 (0.33) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024722-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-01-26 — — 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-20230024722-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP TMPRSS2 100/4885TSHR 4711/4885EGLN2 2347/4885

“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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