SCHEMBL9982841

SCHEMBL9982841

CC(C)=C(O)[C@H]1O[C@](n2cnc3c(N)ncnc32)(S(=O)(=O)c2ccccc2C)[C@H](O)[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
AHCY P23526 6/20 0.37
HIF1A Q16665 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KLK7 P49862 1/20 0.36
ADORA1 P30542 2/20 0.35
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
GMPS P49915 1/20 0.35
ADORA2A P29274 1/20 0.35
HSP90B1 P14625 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
SCHEMBL9317293 0.84 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL28246105 0.73 ADORA3 (0.45) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL11038931 0.72 AHCY (0.40) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL7613659 0.70 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL11459664 0.67 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL28035584 0.66 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL7788095 0.66 AHCY (0.46) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL2488747 0.66 ADORA3 (0.49) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL27343180 0.66 ADORA3 (0.49) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL28781539 0.65 AHCY (0.45) PI4KAPI4K2BPI4K2API4KBAHCY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368944-A1 LINKED PURINE PTERIN HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS US HEALTH (US) 2016-12-22 US disclosed
US-9453019-B2 Linked purine pterin HPPK inhibitors useful as antibacterial agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-27 US disclosed
US-20150218167-A1 LINKED PURINE PTERIN HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS US HEALTH (US) 2015-08-06 US disclosed
US-9029344-B2 Linked purine pterin HPPK inhibitors useful as antibacterial agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-05-12 US disclosed
US-20130172285-A1 LINKED PURINE PTERIN HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2013-07-04 US disclosed
EP-2582712-A2 LINKED PURINE PTERIN HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2013-04-24 EP disclosed
WO-2011159471-A2 LINKED PURINE PTERIN HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-12-22 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 (3 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-20160368944-A1 LINKED PURINE PTERIN HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS PDXK, HPRT1, PLPBP PI4KA 980/4885PI4K2B 831/4885PI4K2A 838/4885
US-20130172285-A1 LINKED PURINE PTERIN HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS PDXK, HPRT1, PLPBP PI4KA 1009/4885PI4K2B 872/4885PI4K2A 893/4885
US-20150218167-A1 LINKED PURINE PTERIN HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS PDXK, HPRT1, PLPBP PI4KA 1009/4885PI4K2B 872/4885PI4K2A 893/4885

“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.