SCHEMBL16756835

SCHEMBL16756835

Nc1ccn(C(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ F12 P00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MGAM O43451 1/20 0.41
▸ AMY1A P0DUB6 1/20 0.41
▸ SI P14410 1/20 0.41
▸ MGAM2 Q2M2H8 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL16757104 0.80 HPGD (0.40) TSHRF12CES1CA1CA2
SCHEMBL3654078 0.70 LMNA (0.47) CA1CA2CA12CA7CA9
SCHEMBL4320783 0.70 KMT2A (0.49) TSHRF12CA1CA2CA12
SCHEMBL5408701 0.70 CES1 (0.47) TSHRCES1CA1CA2CA12
SCHEMBL29114323 0.70 NOS1 (0.63) TSHRCES1CA1CA2BCHE
SCHEMBL17541934 0.69 PLA2G7 (0.46) TSHRCES1CA1CA2CA12
SCHEMBL6325746 0.67 CES1 (0.57) TSHRCES1CA1CA2CA12
SCHEMBL22540523 0.66 LMNA (0.35) LMNAMAPT
SCHEMBL28954485 0.66 BCHE (0.48) TSHRCES1CA1CA2CA12
SCHEMBL6326811 0.66 MAPK1 (0.56) TSHRCES1CA1CA2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3109246-B1 THIOPYRANOSE COMPOUND AND METHOD FOR PRODUCING SAME FUJIFILM CORP (JP) 2021-11-03 — — EP disclosed
EP-3184112-B1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE FUJIFILM CORP (JP) 2020-12-23 — — EP disclosed
CN-107011168-B Synthesis intermediates of cytosines and synthesis intermediates of thionucleosides 富士胶片株式会社 2020-06-09 — — CN disclosed
US-10570112-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same FUJIFILM CORPORATION (JP) 2020-02-25 — — US disclosed
US-20180327377-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2018-11-15 — — US disclosed
US-10093645-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same FUJIFILM CORPORATION (JP) 2018-10-09 — — US disclosed
US-9815812-B2 Thiopyranose compound and method for producing same FUJIFILM CORPORATION (JP) 2017-11-14 — — US disclosed
EP-3184112-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-SS-D-ARABINOFURANOSYL)CYTOSINE Fujifilm Corporation (JP) 2017-06-28 — — EP disclosed
EP-3109246-A1 THIOPYRANOSE COMPOUND AND METHOD FOR PRODUCING SAME Fujifilm Corporation (JP) 2016-12-28 — — EP disclosed
US-20160362389-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2016-12-15 — — US disclosed
US-20160355497-A1 THIOPYRANOSE COMPOUND AND METHOD FOR PRODUCING SAME FUJIFILM CORPORATION (JP) 2016-12-08 — — US disclosed
US-9475835-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl) cytosine, synthetic intermediate of thionucleoside, and method for producing the same FUJIFILM CORPORATION (JP) 2016-10-25 — — US disclosed
US-20160024132-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL) CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2016-01-28 — — US disclosed
US-9221865-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same FUJIFILM CORPORATION (JP) 2015-12-29 — — US disclosed
US-9187514-B2 — — 2015-11-17 — — US disclosed
EP-2883866-A1 INTERMEDIATE FOR SYNTHESIS OF 1-(2-DEOXY-2-FLUORO-4-THIO-beta-D-ARABINOFURANOSYL) CYTOSINE, INTERMEDIATE FOR SYNTHESIS OF THIONUCLEOSIDE, AND METHODS FOR PRODUCING THESE INTERMEDIATES FUJIFILM Corporation (JP) 2015-06-17 — — EP disclosed
US-20150152131-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2015-06-04 — — 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 (7 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-20150152131-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME TYMS, TYMP, RRM2B TSHR 740/4885F12 1384/4885CES1 2126/4885
US-20160024132-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL) CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME TYMS, TYMP, RRM2B TSHR 740/4885F12 1384/4885CES1 2126/4885
US-10093645-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same TYMS, TYMP, RRM2B TSHR 750/4885F12 1418/4885CES1 2140/4885
US-10570112-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same TYMS, TYMP, RRM2B TSHR 750/4885F12 1418/4885CES1 2140/4885
US-20160362389-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME TYMS, TYMP, RRM2B TSHR 740/4885F12 1384/4885CES1 2126/4885
US-20180327377-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME TYMS, TYMP, RRM2B TSHR 740/4885F12 1384/4885CES1 2126/4885
US-20160355497-A1 THIOPYRANOSE COMPOUND AND METHOD FOR PRODUCING SAME TST, TPMT, CTPS1 TSHR 653/4885F12 1315/4885CES1 569/4885

“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.

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