SCHEMBL3044440

SCHEMBL3044440

O=P(O)(O)COCn1cnc2cncnc21

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.63
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
FGFR1 P11362 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
ENPP1 P22413 1/20 0.40
LTA4H P09960 1/20 0.40
HPRT1 P00492 8/20 0.38
CYP3A4 P08684 1/20 0.37
PNP P00491 4/20 0.34

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
SCHEMBL8708627 0.93 FDPS (0.59) FDPSHDAC1HDAC6FGFR1SLC22A6
SCHEMBL3054581 0.86 FGFR1 (0.60) FDPSHDAC1HDAC6FGFR1SLC22A6
SCHEMBL9124001 0.78 FDPS (0.50) FDPSHDAC1HDAC6FGFR1SLC22A6
SCHEMBL6935229 0.78 FDPS (0.49) FDPSHDAC1HDAC6ENPP1LTA4H
SCHEMBL8525122 0.78 FDPS (0.67) FDPSHDAC1HDAC6CYP3A4
SCHEMBL8525119 0.78 FDPS (0.67) FDPSHDAC1HDAC6CYP3A4
SCHEMBL3976006 0.77 FDPS (1.00) FDPSHDAC1HDAC6LTA4HHPRT1
SCHEMBL8444477 0.75 FDPS (0.46) FDPSHDAC1HDAC6ENPP1LTA4H
SCHEMBL23398227 0.74 FDPS (0.50) FDPSHDAC1HDAC6LTA4HCYP3A4
SCHEMBL9516044 0.72 FDPS (0.59) FDPSHDAC1HDAC6LTA4HCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754718-B2 Antiviral helioxanthin analogs YALE UNIVERSITY (US) 2010-07-13 US disclosed
US-20080167353-A1 Novel Antiviral Helioxanthin Analogs YALE UNIVERSITY (US) 2008-07-10 US disclosed
WO-2005107742-A1 NOVEL ANTIVIRAL HELIOXANTHIN ANALOGS YALE UNIVERSITY (US) 2005-11-17 WO disclosed
US-6306899-B1 VIRICIDES YALE UNIVERSITY 2001-10-23 US disclosed
EP-1107961-A1 INHIBITION AND TREATMENT OF HEPATITIS B VIRUS AND FLAVIVIRUS BY HELIOXANTHIN AND ITS ANALOGS YALE UNIVERSITY (US) 2001-06-20 EP disclosed
WO-2000010991-A1 INHIBITION AND TREATMENT OF HEPATITIS B VIRUS AND FLAVIVIRUS BY HELIOXANTHIN AND ITS ANALOGS YALE UNIVERSITY (US) 2000-03-02 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-20080167353-A1 Novel Antiviral Helioxanthin Analogs HAVCR2, ZC3HAV1, DHX35 FDPS 1843/4885HDAC1 438/4885HDAC6 669/4885

“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.