SCHEMBL97643

SCHEMBL97643

CCCCCCCCCCCCCCCCOCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)nc(N)nc21

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 15/20 0.79
CYP2D6 P10635 14/20 0.79

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
SCHEMBL173053 0.89 CYP2D6 (0.64) CYP3A4CYP2D6
SCHEMBL14665315 0.89 CYP3A4 (0.63) CYP3A4CYP2D6
SCHEMBL14665317 0.89 CYP3A4 (0.63) CYP3A4CYP2D6
SCHEMBL14665360 0.89 CYP3A4 (0.63) CYP3A4CYP2D6
SCHEMBL14665311 0.89 CYP3A4 (0.63) CYP3A4CYP2D6
Tenofovir Exalidex SCHEMBL8268123 0.89 CYP3A4 (0.98) CYP3A4CYP2D6
Tenofovir Exalidex SCHEMBL2299893 0.89 CYP3A4 (0.98) CYP3A4CYP2D6
SCHEMBL23015000 0.88 CYP3A4 (0.97) CYP3A4CYP2D6
SCHEMBL24722045 0.88 CYP3A4 (0.97) CYP3A4CYP2D6
SCHEMBL23014999 0.88 CYP3A4 (0.97) CYP3A4CYP2D6

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-20120058975-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-03-08 US disclosed
WO-2011011710-A1 METHODS OF TREATING VIRAL INFECTIONS CHIMERIX, INC. (US) 2011-01-27 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-20120058975-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA CYP3A4 2408/4885CYP2D6 3148/4885

“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.