SCHEMBL173053

SCHEMBL173053

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

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 16/20 0.64
CYP3A4 P08684 15/20 0.64

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
SCHEMBL14665336 0.90 CYP2D6 (0.51) CYP2D6CYP3A4
SCHEMBL97643 0.89 CYP3A4 (0.79) CYP2D6CYP3A4
SCHEMBL10049618 0.87 CYP2D6 (0.82) CYP2D6CYP3A4
SCHEMBL14665399 0.86 CYP2D6 (0.53) CYP2D6CYP3A4
SCHEMBL14665398 0.86 CYP2D6 (0.53) CYP2D6CYP3A4
SCHEMBL14665373 0.86 CYP2D6 (0.53) CYP2D6CYP3A4
SCHEMBL30515122 0.85 CYP3A4 (0.73) CYP2D6CYP3A4
SCHEMBL4312545 0.85 CYP3A4 (0.73) CYP2D6CYP3A4
SCHEMBL173030 0.85 CYP3A4 (0.73) CYP2D6CYP3A4
SCHEMBL1032335 0.85 CYP3A4 (0.73) CYP2D6CYP3A4

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
US-20100173870-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-07-08 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 (2 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 CYP2D6 3148/4885CYP3A4 2408/4885
US-20100173870-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA CYP2D6 3148/4885CYP3A4 2408/4885

“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.