SCHEMBL18879940

SCHEMBL18879940

O=C(OC[C@@]1(C(F)(F)F)OC(n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ P2RY14 Q15391 2/20 0.39
▸ SLC28A1 O00337 1/20 0.39
▸ SLC28A2 O43868 1/20 0.39
▸ SLC29A1 Q99808 1/20 0.39
▸ SLC28A3 Q9HAS3 1/20 0.39
▸ P2RY2 P41231 6/20 0.38
▸ P2RY6 Q15077 6/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DUT P33316 2/20 0.36
▸ P2RY4 P51582 1/20 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
SCHEMBL18672099 0.91 POLB (0.39) NT5EPOLBHSD17B10P2RY14SLC28A1
SCHEMBL18672098 0.91 POLB (0.39) NT5EPOLBHSD17B10P2RY14SLC28A1
SCHEMBL25401295 0.85 POLB (0.42) NT5EPOLBHSD17B10P2RY14SLC28A1
SCHEMBL17359574 0.81 SLC28A1 (0.49) P2RY14SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL16144608 0.80 POLB (0.40) NT5EPOLBHSD17B10P2RY14SLC28A1
SCHEMBL16644423 0.80 POLB (0.40) NT5EPOLBHSD17B10P2RY14SLC28A1
SCHEMBL22475022 0.79 DUT (0.41) NT5EPOLBHSD17B10P2RY14P2RY2
SCHEMBL22475024 0.79 P2RY14 (0.41) P2RY14SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL9893411 0.79 POLB (0.40) NT5EPOLBHSD17B10SLC28A1SLC28A2
SCHEMBL9893412 0.79 POLB (0.40) NT5EPOLBHSD17B10SLC28A1SLC28A2

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-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2017-05-25 — — 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-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B NT5E 9/4885POLB 224/4885HSD17B10 4375/4885

“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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