SCHEMBL17860666

SCHEMBL17860666

CC(=O)OC[C@@]1(CF)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](CF)[C@@H]1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.39
▸ SLC28A1 O00337 1/20 0.38
▸ SLC28A2 O43868 1/20 0.38
▸ SLC29A1 Q99808 1/20 0.38
▸ SLC28A3 Q9HAS3 1/20 0.38
▸ P2RY6 Q15077 7/20 0.37
▸ P2RY14 Q15391 1/20 0.36
▸ P2RY2 P41231 9/20 0.35
▸ P2RY4 P51582 3/20 0.35

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
SCHEMBL19861807 1.00 TDP1 (0.39) TDP1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL17863929 1.00 TDP1 (0.39) TDP1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL15074422 0.89 TDP1 (0.39) TDP1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL17860915 0.89 TDP1 (0.39) TDP1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL19861727 0.89 TDP1 (0.39) TDP1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL17860656 0.84 P2RY2 (0.41) TDP1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL19861728 0.84 P2RY2 (0.41) TDP1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL16373867 0.82 SLC28A1 (0.41) TDP1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL19993747 0.82 SLC28A1 (0.36) TDP1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL15074351 0.81 TDP1 (0.39) TDP1SLC28A1SLC28A2SLC29A1SLC28A3

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-20180155384-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2018-06-07 — — US disclosed
WO-2016100569-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2016-06-23 — — WO 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-20180155384-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 TDP1 354/4885SLC28A1 27/4885SLC28A2 31/4885

“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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