SCHEMBL25912214

SCHEMBL25912214

CCC(=O)OC[C@H]1O[C@@](C)(c2ccc3c(NC(=O)c4ccccc4)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ P2RY6 Q15077 1/20 0.30
▸ P2RY14 Q15391 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL24789732 0.92 TMPRSS2 (0.45) TMPRSS2TDP1HTTSMN1; SMN2NPC1
SCHEMBL24917183 0.92 TMPRSS2 (0.47) TMPRSS2TDP1HTTNPC1ALDH1A1
SCHEMBL25912237 0.91 TMPRSS2 (0.44) TMPRSS2TDP1HTTNPC1MAPT
SCHEMBL25912228 0.90 TMPRSS2 (0.46) TMPRSS2TDP1HTTNPC1ALDH1A1
SCHEMBL24789734 0.89 TMPRSS2 (0.42) TMPRSS2TDP1NPC1ALDH1A1ATM
SCHEMBL24789739 0.87 TMPRSS2 (0.62) TMPRSS2TDP1HTTSMN1; SMN2NPC1
SCHEMBL25912181 0.87 TMPRSS2 (0.46) TMPRSS2TDP1HTTACACB
SCHEMBL24789767 0.87 TMPRSS2 (0.58) TMPRSS2TDP1NPC1ALDH1A1ATM
SCHEMBL25912345 0.87 TMPRSS2 (0.39) TMPRSS2TSHR
SCHEMBL24916887 0.85 TMPRSS2 (0.38) TMPRSS2HTTSMN1; SMN2NPC1RAB9A

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 TMPRSS2 100/4885TDP1 874/4885HTT 2401/4885
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP TMPRSS2 100/4885TDP1 874/4885HTT 2401/4885

“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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