SCHEMBL16617658

SCHEMBL16617658

CCOC(=O)CN(CCn1cnc2c(O)ncnc21)CCP(=O)(OCC)OCC

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 17/20 0.59
ADCY5 O95622 1/20 0.37
ABCB11 O95342 1/20 0.36
POLA1 P09884 1/20 0.36
POLG P54098 1/20 0.36
FAP Q12884 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL15531924 0.90 HPRT1 (0.72) HPRT1
SCHEMBL15531879 0.90 HPRT1 (0.47) HPRT1CYP1A2CYP2D6MAPK1
SCHEMBL15556848 0.90 HPRT1 (0.58) HPRT1ADCY5ABCB11POLA1POLG
SCHEMBL16618127 0.86 HPRT1 (0.50) HPRT1CYP1A2CYP2D6MAPK1
SCHEMBL15532161 0.86 HPRT1 (0.53) HPRT1
SCHEMBL15532441 0.86 HPRT1 (0.51) HPRT1ADCY5
SCHEMBL16618146 0.84 HPRT1 (0.59) HPRT1
SCHEMBL19245429 0.84 HPRT1 (0.83) HPRT1
SCHEMBL15532234 0.83 HPRT1 (0.54) HPRT1
SCHEMBL15532326 0.81 HPRT1 (0.60) HPRT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2847201-B1 6-OXOPURINE PHOSPHORIBOSYLTRANSFERASE INHIBITORS UNIV QUEENSLAND (AU) 2017-08-16 EP disclosed
US-9200020-B2 6-oxopurine phosphoribosyltransferase inhibitors THE UNIVERSITY OF QUEENSLAND (AU) 2015-12-01 US disclosed
US-20150099722-A1 6-OXOPURINE PHOSPHORIBOSYLTRANSFERASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2015-04-09 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-20150099722-A1 6-OXOPURINE PHOSPHORIBOSYLTRANSFERASE INHIBITORS HPRT1, APRT, TPMT HPRT1 1/4885ADCY5 3171/4885ABCB11 1061/4885

“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.