SCHEMBL24917272

SCHEMBL24917272

CN=C[C@@]1(c2ccc3c(NC(=O)c4ccccc4)ncnn23)O[C@H](COC(=O)Cc2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPC1 O15118 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ MARS1 P56192 1/20 0.30
▸ MGLL Q99685 2/20 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
SCHEMBL24917394 0.88 TMPRSS2 (0.41) TMPRSS2TDP1
SCHEMBL24789732 0.86 TMPRSS2 (0.45) TMPRSS2ALDH1A1TSHRNPC1POLB
SCHEMBL24917594 0.83 TMPRSS2 (0.61) TMPRSS2ALDH1A1TSHRNPC1POLB
SCHEMBL24916829 0.81 TMPRSS2 (0.38) TMPRSS2TSHR
SCHEMBL24917205 0.80 TMPRSS2 (0.32) TMPRSS2
SCHEMBL24917286 0.80 TMPRSS2 (0.46) TMPRSS2NPC1POLBRAB9ASMN1; SMN2
SCHEMBL24791234 0.80 TMPRSS2 (0.47) TMPRSS2POLBTDP1
SCHEMBL24791786 0.80 TMPRSS2 (0.39) TMPRSS2ALDH1A1TSHRNPC1POLB
SCHEMBL24917208 0.80 TMPRSS2 (0.45) TMPRSS2
SCHEMBL25912214 0.79 TMPRSS2 (0.46) TMPRSS2ALDH1A1TSHRNPC1RAB9A

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 100/4885ALDH1A1 2219/4885TSHR 4711/4885

“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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