SCHEMBL25913236

SCHEMBL25913236

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

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.32
▸ RIPK1 Q13546 3/20 0.32
▸ TMPRSS2 O15393 1/20 0.31
▸ CCR1 P32246 1/20 0.30
▸ POLRMT O00411 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
SCHEMBL24789750 0.88 TMPRSS2 (0.44) HTTRIPK1TMPRSS2
SCHEMBL24917228 0.88 TMPRSS2 (0.44) HTTRIPK1TMPRSS2
SCHEMBL24312551 0.88 TRPA1 (0.33) RIPK1TMPRSS2
SCHEMBL24312556 0.87 RIPK1 (0.34) RIPK1TMPRSS2POLRMT
SCHEMBL25911580 0.87 PRKD3 (0.35) RIPK1TMPRSS2POLRMT
SCHEMBL24917227 0.86 POLRMT (0.31) HTTTMPRSS2POLRMT
SCHEMBL24312579 0.85 RIPK1 (0.33) RIPK1TMPRSS2POLRMT
SCHEMBL24312614 0.85 RIPK1 (0.33) RIPK1TMPRSS2POLRMT
SCHEMBL24791044 0.82 POLRMT (0.33) RIPK1TMPRSS2POLRMT
SCHEMBL24791043 0.82 POLRMT (0.33) RIPK1TMPRSS2POLRMT

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-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-07-27 — — US disclosed
US-11638715-B2 Orally-bioavailable nucleoside analogs VenatoRx Pharmaceuticals, Inc. (US) 2023-05-02 — — 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-11638715-B2 Orally-bioavailable nucleoside analogs SLC29A2, SLC29A1, PNP HTT 2401/4885RIPK1 2571/4885TMPRSS2 100/4885
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP HTT 2401/4885RIPK1 2571/4885TMPRSS2 100/4885

“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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