SCHEMBL17439374

SCHEMBL17439374

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

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 9/20 0.61
P2RY2 P41231 13/20 0.60
P2RY4 P51582 7/20 0.60
P2RY14 Q15391 5/20 0.59
ENPP1 P22413 1/20 0.57

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
SCHEMBL17198543 0.91 P2RY6 (0.52) P2RY6P2RY2P2RY4P2RY14ENPP1
SCHEMBL25714649 0.85 P2RY6 (0.46) P2RY6P2RY2P2RY4P2RY14ENPP1
SCHEMBL17198808 0.83 P2RY6 (0.58) P2RY6P2RY2P2RY4P2RY14
SCHEMBL27832797 0.83 P2RY6 (0.73) P2RY6P2RY2P2RY4P2RY14
SCHEMBL25714635 0.82 DUT (0.47) P2RY6P2RY2P2RY4P2RY14
SCHEMBL25714870 0.82 CYP3A4 (0.55) P2RY6P2RY2P2RY4P2RY14
SCHEMBL901383 0.82 P2RY2 (0.76) P2RY6P2RY2P2RY4P2RY14
SCHEMBL25721604 0.80 CYP3A4 (0.42) P2RY6P2RY2P2RY4P2RY14
SCHEMBL17198814 0.80 CYP3A4 (0.55) P2RY6P2RY2P2RY4P2RY14ENPP1
SCHEMBL12636149 0.79 P2RY2 (0.75) P2RY6P2RY2P2RY4P2RY14

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
WO-2016014527-A2 STABILIZED NUCLEOTIDES FOR MEDICAL TREATMENT ACHILLION PHARMACEUTICALS, INC. (US) 2016-01-28 WO disclosed
US-20160016986-A1 STABILIZED NUCLEOTIDES FOR MEDICAL TREATMENT ACHILLION PHARMACEUTICALS, INC. 2016-01-21 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-20160016986-A1 STABILIZED NUCLEOTIDES FOR MEDICAL TREATMENT NUDT1, DUT, ADAR P2RY6 271/4885P2RY2 315/4885P2RY4 249/4885

“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.