SCHEMBL24917614

SCHEMBL24917614

CCCCC(=O)Nc1ncnn2c(C3(C#N)O[C@H](COC(C)=O)[C@@H](O)[C@H]3O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.53
▸ GSK3B P49841 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ TSHR P16473 2/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MAPK8 P45983 1/20 0.30
▸ MAPK9 P45984 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
SCHEMBL24917022 1.00 TMPRSS2 (0.53) TMPRSS2GSK3BHTTNCOA1NCOA3
SCHEMBL24789430 0.95 TMPRSS2 (0.54) TMPRSS2TSHR
SCHEMBL25439354 0.95 TMPRSS2 (0.54) TMPRSS2TSHR
SCHEMBL25913451 0.93 TMPRSS2 (0.52) TMPRSS2GSK3BHTTNCOA1NCOA3
SCHEMBL24791743 0.93 TMPRSS2 (0.52) TMPRSS2GSK3BHTTNCOA1NCOA3
SCHEMBL24791733 0.92 TMPRSS2 (0.52) TMPRSS2GSK3BHTTNCOA1NCOA3
SCHEMBL24917248 0.90 TMPRSS2 (0.50) TMPRSS2GSK3BHTTNCOA1NCOA3
SCHEMBL25913453 0.90 TMPRSS2 (0.50) TMPRSS2GSK3BHTTNCOA1NCOA3
SCHEMBL25909967 0.90 TMPRSS2 (0.57) TMPRSS2GSK3BHTTNCOA1NCOA3
SCHEMBL25382387 0.90 TMPRSS2 (0.51) TMPRSS2GSK3B

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 100/4885GSK3B 3317/4885HTT 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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