SCHEMBL19861796

SCHEMBL19861796

CC(=O)O[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@](CF)(COCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
NT5E P21589 1/20 0.36
P2RY12 Q9H244 6/20 0.34
P2RY2 P41231 5/20 0.34
P2RY6 Q15077 3/20 0.33
P2RY4 P51582 1/20 0.33
SLC28A1 O00337 1/20 0.33
SLC28A2 O43868 1/20 0.33
SLC29A1 Q99808 1/20 0.33
SLC28A3 Q9HAS3 1/20 0.33
DUT P33316 1/20 0.33

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
SCHEMBL23996233 0.93 TDP1 (0.34) TDP1NT5EP2RY2P2RY6P2RY4
SCHEMBL17958879 0.93 TDP1 (0.34) TDP1NT5EP2RY2P2RY6P2RY4
SCHEMBL25400077 0.91 TDP1 (0.39) TDP1NT5EP2RY12P2RY2P2RY6
SCHEMBL25400083 0.91 TDP1 (0.39) TDP1NT5EP2RY12P2RY2P2RY6
SCHEMBL1097345 0.91 TDP1 (0.42) TDP1NT5EP2RY12P2RY2P2RY6
SCHEMBL25400092 0.91 TDP1 (0.39) TDP1NT5EP2RY12P2RY2P2RY6
SCHEMBL16993619 0.91 TDP1 (0.39) TDP1NT5EP2RY12P2RY2P2RY6
SCHEMBL16991644 0.91 TDP1 (0.39) TDP1NT5EP2RY12P2RY2P2RY6
SCHEMBL25400099 0.91 TDP1 (0.39) TDP1NT5EP2RY12P2RY2P2RY6
SCHEMBL25403028 0.87 TSHR (0.35) NT5EP2RY6

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
US-9890188-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2018-02-13 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-20180155384-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 TDP1 354/4885NT5E 7/4885P2RY12 171/4885

“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.