SCHEMBL17725035

SCHEMBL17725035

O=[N+]([O-])c1ccc(OP2(=O)OCCCO2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LTA4H P09960 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL20787653 0.79 STS (0.30)
SCHEMBL21489392 0.78 HSPB1 (0.36) HSPB1CA1CA2CA9CES2
SCHEMBL3453447 0.75 RECQL (0.42) LTA4HMEN1POLBKMT2AMAPK1
SCHEMBL17724920 0.75 CRYZ (0.36) CES2CES1ALDH1A1LMNASMN1; SMN2
SCHEMBL3197086 0.75 CRYZ (0.36) CES2CES1ALDH1A1LMNASMN1; SMN2
SCHEMBL17447006 0.75 CRYZ (0.36) CES2CES1ALDH1A1LMNASMN1; SMN2
SCHEMBL5769257 0.75 L3MBTL1 (0.39) CES2CES1ALDH1A1LMNASMN1; SMN2
SCHEMBL3187832 0.75 CRYZ (0.36) CES2CES1ALDH1A1LMNASMN1; SMN2
SCHEMBL3187838 0.75 CRYZ (0.36) CES2CES1ALDH1A1LMNASMN1; SMN2
SCHEMBL15112222 0.75 CRYZ (0.36) CES2CES1ALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107148423-B Thionucleoside derivative or salt thereof and pharmaceutical composition 富士胶片株式会社 2021-07-30 CN disclosed
EP-3730509-A1 COMPOUND FOR TREATING METABOLIC DISEASES AND PREPARATION METHOD AND USE THEREOF Xi' An Biocare Pharma (CN) 2020-10-28 EP disclosed
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
CN-108137639-A Nicotinamide mononucleotide derivative and application thereof 麦德龙国际生物科技有限责任公司 2018-06-08 CN 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
CN-101747404-B Glycyrrhetinic acid cyclic phosphonate ester derivative and preparation method thereof OCEAN UNIV CHINA 2012-06-27 CN disclosed
CN-101747404-A Glycyrrhetinic acid cyclic phosphonate ester derivative and preparation method thereof OCEAN UNIV CHINA 2010-06-23 CN 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 HSPB1 2936/4885CA1 2690/4885CA2 2431/4885
US-10385089-B2 Thionucleoside derivative or salt thereof, and pharmaceutical composition SLC11A2, RNASE1, KRAS HSPB1 2936/4885CA1 2690/4885CA2 2431/4885
US-10059734-B2 Thionucleoside derivative or salt thereof, and pharmaceutical composition SLC11A2, RNASE1, TYMP HSPB1 2233/4885CA1 2627/4885CA2 2614/4885
US-20170233429-A1 THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION SLC11A2, RNASE1, TYMP HSPB1 2233/4885CA1 2627/4885CA2 2614/4885

“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.