SCHEMBL14596602

SCHEMBL14596602

COC(=O)C(C)NP(=O)(OC[C@@H]1CC[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
TK1 P04183 6/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
TYMS P04818 2/20 0.40
POLB P06746 2/20 0.39
POLA1 P09884 1/20 0.38
POLD1 P28340 1/20 0.38

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
SCHEMBL14596610 1.00 BCHE (0.42) BCHETK1CYP3A4CYP2C9TYMS
SCHEMBL14627712 0.96 TYMS (0.41) BCHETK1CYP3A4CYP2C9TYMS
SCHEMBL14627739 0.96 TYMS (0.41) BCHETK1CYP3A4CYP2C9TYMS
SCHEMBL14627740 0.92 TERT (0.42) BCHETK1CYP3A4CYP2C9TYMS
SCHEMBL23721012 0.88 CYP3A4 (0.55) BCHETK1CYP3A4CYP2C9TYMS
SCHEMBL13660305 0.85 CYP3A4 (0.46) BCHETK1CYP3A4CYP2C9TYMS
SCHEMBL14596598 0.85 ALDH1A1 (0.48) BCHECYP3A4CYP2C9POLB
SCHEMBL21316792 0.85 ALDH1A1 (0.48) BCHECYP3A4CYP2C9POLB
SCHEMBL14596608 0.84 POLB (0.61) BCHETK1TYMSPOLBPOLA1
SCHEMBL14596612 0.84 POLB (0.61) BCHETK1TYMSPOLBPOLA1

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-20070015733-A1 Aryl Phosphate Derivatives of d4T having Activity Against Resistant HIV Strains PARKER HUGHES INSTITUTE (US) 2007-01-18 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-20070015733-A1 Aryl Phosphate Derivatives of d4T having Activity Against Resistant HIV Strains TYMP, PNP, APRT BCHE 4117/4885TK1 45/4885CYP3A4 183/4885

“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.