SCHEMBL24916868

SCHEMBL24916868

C=NC[C@@]1(c2ccc3c(NC(=O)CCC)ncnn23)O[C@H](CO)[C@@H](OC(=O)CC)[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.40
▸ TSHR P16473 1/20 0.32
▸ CYP1A2 P05177 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ ADRB3 P13945 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL24917211 0.91 TMPRSS2 (0.39) TMPRSS2
SCHEMBL24917128 0.88 TMPRSS2 (0.34) TMPRSS2
SCHEMBL25912570 0.86 TMPRSS2 (0.40) TMPRSS2TSHRCYP1A2HTR1ACYP2D6
SCHEMBL24791252 0.83 TMPRSS2 (0.53) TMPRSS2TSHRCYP1A2HTR1ACYP2D6
SCHEMBL24917219 0.81 TMPRSS2 (0.39) TMPRSS2LMNA
SCHEMBL24917060 0.80 TMPRSS2 (0.36) TMPRSS2TSHR
SCHEMBL24916918 0.79 TMPRSS2 (0.35) TMPRSS2
SCHEMBL24917328 0.79 TMPRSS2 (0.34) TMPRSS2
SCHEMBL25912420 0.79 TMPRSS2 (0.40) TMPRSS2TSHR
SCHEMBL25912633 0.79 TMPRSS2 (0.38) TMPRSS2TSHRCYP1A2HTR1ACYP2D6

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 4711/4885CYP1A2 387/4885

“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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