SCHEMBL25925533

SCHEMBL25925533

CCCCC(=O)Nc1ncnn2c([C@]3(C)O[C@H](COC(=O)C(C)C)[C@@H](O)[C@H]3O)ccc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ GSK3B P49841 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
SCHEMBL26200184 0.98 TMPRSS2 (0.37) TMPRSS2SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL26200467 0.97 TMPRSS2 (0.37) TMPRSS2SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL25912349 0.95 TMPRSS2 (0.38) TMPRSS2TSHR
SCHEMBL25913910 0.92 TMPRSS2 (0.37) TMPRSS2SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL24791013 0.92 TMPRSS2 (0.38) TMPRSS2SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL25913455 0.91 TMPRSS2 (0.36) TMPRSS2SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL24916887 0.91 TMPRSS2 (0.38) TMPRSS2SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL25925050 0.89 TMPRSS2 (0.37) TMPRSS2SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL24791733 0.88 TMPRSS2 (0.52) TMPRSS2SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL25913319 0.87 TMPRSS2 (0.47) TMPRSS2SMN1; SMN2HTTNCOA1NCOA3

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 100/4885SMN1; SMN2 862/4885HTT 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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