SCHEMBL24917097

SCHEMBL24917097

CC(C)CC(=O)C[C@H]1[C@@H](O)[C@](C#N)(c2ccc3c(NC(=O)c4ccccc4)ncnn23)O[C@@H]1CO

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.60
▸ EGLN2 Q96KS0 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ RIPK1 Q13546 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL24917093 0.87 TMPRSS2 (0.52) TMPRSS2
SCHEMBL24917096 0.87 TMPRSS2 (0.59) TMPRSS2EGLN2
SCHEMBL24791785 0.86 TMPRSS2 (0.79) TMPRSS2EGLN2ALDH1A1NPC1ATM
SCHEMBL26136509 0.84 TMPRSS2 (0.60) TMPRSS2EGLN2ALDH1A1NPC1ATM
SCHEMBL24917209 0.84 TMPRSS2 (0.60) TMPRSS2EGLN2ALDH1A1NPC1ATM
SCHEMBL24789733 0.83 TMPRSS2 (0.60) TMPRSS2EGLN2ALDH1A1NPC1ATM
SCHEMBL24917569 0.82 TMPRSS2 (0.63) TMPRSS2EGLN2ALDH1A1NPC1ATM
SCHEMBL26136380 0.82 TMPRSS2 (0.63) TMPRSS2EGLN2ALDH1A1NPC1ATM
SCHEMBL25909937 0.82 TMPRSS2 (0.59) TMPRSS2EGLN2ALDH1A1HTT
SCHEMBL25315489 0.82 TMPRSS2 (0.62) TMPRSS2EGLN2ALDH1A1NPC1ATM

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 100/4885EGLN2 2347/4885ALDH1A1 2219/4885

“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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