SCHEMBL17725076

SCHEMBL17725076

O=[N+]([O-])c1ccc(OP2(=O)OCc3ccccc3O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HSPB1 P04792 1/20 0.34
MAPT P10636 3/20 0.34
BCHE P06276 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.33
MAPK1 P28482 1/20 0.33
P2RX4 Q99571 1/20 0.33

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
SCHEMBL29257676 0.83 BCHE (0.38) BCHECA1CA2CA9MAPK1
SCHEMBL29367391 0.83 BCHE (0.38) BCHECA1CA2CA9MAPK1
SCHEMBL17724860 0.79 ADORA3 (0.39) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL17725035 0.72 HSPB1 (0.41) ALDH1A1LMNAMEN1KMT2AHSPB1
SCHEMBL21345766 0.71 BCHE (0.36) BCHE
SCHEMBL11509206 0.71 BCHE (0.42) ALDH1A1MAPTBCHECA1CA2
SCHEMBL12875556 0.71 BCHE (0.42) ALDH1A1MAPTBCHECA1CA2
SCHEMBL29671025 0.70 BCHE (0.42) ALDH1A1BCHECA1CA2CA9
SCHEMBL31243189 0.69 RECQL (0.38) HTTMEN1KMT2AMAPK1POLB
SCHEMBL18895884 0.68 BCHE (0.40) BCHECA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3214090-B1 THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORP (JP) 2020-08-19 EP disclosed
US-10385089-B2 Thionucleoside derivative or salt thereof, and pharmaceutical composition FUJIFILM CORPORATION (JP) 2019-08-20 US disclosed
US-10385089-B2 Thionucleoside derivative or salt thereof, and pharmaceutical composition FUJIFILM CORPORATION (JP) 2019-08-20 US disclosed
US-20180319834-A1 THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORPORATION (JP) 2018-11-08 US disclosed
US-10059734-B2 Thionucleoside derivative or salt thereof, and pharmaceutical composition FUJIFILM CORPORATION (JP) 2018-08-28 US disclosed
EP-3214090-A1 THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION Fujifilm Corporation (JP) 2017-09-06 EP disclosed
US-20170233429-A1 THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORPORATION (JP) 2017-08-17 US disclosed
US-20170233429-A1 THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORPORATION (JP) 2017-08-17 US disclosed
US-20170233429-A1 THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORPORATION (JP) 2017-08-17 US disclosed
WO-2016068341-A1 THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION 富士フイルム株式会社 2016-05-06 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 (4 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-20180319834-A1 THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION SLC11A2, RNASE1, KRAS HTT 922/4885ALDH1A1 2541/4885LMNA 4093/4885
US-10385089-B2 Thionucleoside derivative or salt thereof, and pharmaceutical composition SLC11A2, RNASE1, KRAS HTT 922/4885ALDH1A1 2541/4885LMNA 4093/4885
US-10059734-B2 Thionucleoside derivative or salt thereof, and pharmaceutical composition SLC11A2, RNASE1, TYMP HTT 1309/4885ALDH1A1 1881/4885LMNA 4144/4885
US-20170233429-A1 THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION SLC11A2, RNASE1, TYMP HTT 1309/4885ALDH1A1 1881/4885LMNA 4144/4885

“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.