SCHEMBL25315489

SCHEMBL25315489

N#C[C@@]1(c2ccc3c(NC(=O)c4ccccc4)ncnn23)OC(CO)[C@@H](C(C(=O)O)c2ccccc2)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.62
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.32
▸ RIPK1 Q13546 3/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL24791785 0.87 TMPRSS2 (0.79) TMPRSS2NPC1ALDH1A1ATMEGLN2
SCHEMBL25316190 0.86 TMPRSS2 (0.58) TMPRSS2NPC1ALDH1A1ATMEGLN2
SCHEMBL26136380 0.84 TMPRSS2 (0.63) TMPRSS2NPC1ALDH1A1ATMEGLN2
SCHEMBL24917569 0.84 TMPRSS2 (0.63) TMPRSS2NPC1ALDH1A1ATMEGLN2
SCHEMBL26136509 0.83 TMPRSS2 (0.60) TMPRSS2NPC1ALDH1A1ATMEGLN2
SCHEMBL24917209 0.83 TMPRSS2 (0.60) TMPRSS2NPC1ALDH1A1ATMEGLN2
SCHEMBL24791240 0.82 TMPRSS2 (0.61) TMPRSS2NPC1ALDH1A1ATMEGLN2
SCHEMBL25315568 0.82 TMPRSS2 (0.45) TMPRSS2ATM
SCHEMBL24667606 0.82 TMPRSS2 (0.65) TMPRSS2NPC1ALDH1A1ATMEGLN2
SCHEMBL24917096 0.82 TMPRSS2 (0.59) TMPRSS2EGLN2

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 100/4885NPC1 67/4885ALDH1A1 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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