SCHEMBL17867770

SCHEMBL17867770

CCCCC(=O)OC[C@H]1OC(O)C[C@H](OC(=O)CCCC)[C@H]1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.43
▸ TNF P01375 3/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TACR2 P21452 2/20 0.38
▸ CA12 O43570 4/20 0.37
▸ CA1 P00915 4/20 0.37
▸ CA2 P00918 4/20 0.37
▸ CA9 Q16790 4/20 0.37
▸ CA14 Q9ULX7 4/20 0.37
▸ MGLL Q99685 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ LGALS8 O00214 1/20 0.35
▸ NT5E P21589 1/20 0.35
▸ KDM4E B2RXH2 1/20 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
SCHEMBL17867771 1.00 BCHE (0.43) BCHETNFPTPN1ALDH1A1CYP3A4
SCHEMBL17867752 0.94 TNF (0.41) BCHETNFALDH1A1CYP3A4TSHR
SCHEMBL17867753 0.94 TNF (0.41) BCHETNFALDH1A1CYP3A4TSHR
SCHEMBL17867797 0.83 TNF (0.39) TNFPTPN1ALDH1A1TSHRMAPK1
SCHEMBL17867795 0.83 TNF (0.39) TNFPTPN1ALDH1A1TSHRMAPK1
SCHEMBL17867736 0.82 TNF (0.44) BCHETNFPTPN1ALDH1A1CYP3A4
SCHEMBL17867754 0.80 TACR2 (0.38) TNFPTPN1ALDH1A1CYP3A4TSHR
SCHEMBL17867722 0.80 TACR2 (0.39) TNFPTPN1ALDH1A1TSHRMAPK1
SCHEMBL17867792 0.80 TNF (0.39) BCHETNFALDH1A1CYP3A4TSHR
SCHEMBL17867791 0.80 TNF (0.39) BCHETNFALDH1A1CYP3A4TSHR

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-11925654-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-03-12 — — US disclosed
US-20220023326-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY UNIV TEXAS (US) 2022-01-27 — — US disclosed
EP-3939595-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY Board of Regents, The University of Texas System (US) 2022-01-19 — — EP disclosed
US-11026960-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-08 — — US disclosed
US-20190224225-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-07-25 — — US disclosed
US-10201554-B2 Esters of 2-deoxy-monosacharides with anti proliferative activity BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-02-12 — — US disclosed
US-20160184336-A1 ESTERS OF 2-DEOXY-MONOSACHARIDES WITH ANTI PROLIFERATIVE ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-06-30 — — 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 (6 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-10201554-B2 Esters of 2-deoxy-monosacharides with anti proliferative activity DERA, G6PD, HK2 BCHE 1766/4885TNF 3759/4885PTPN1 3318/4885
US-11925654-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity SLC2A2, SLC2A1, SLC2A4 BCHE 2329/4885TNF 3445/4885PTPN1 2946/4885
US-20190224225-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 BCHE 2329/4885TNF 3445/4885PTPN1 2946/4885
US-11026960-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity SLC2A2, SLC2A1, SLC2A4 BCHE 2329/4885TNF 3445/4885PTPN1 2946/4885
US-20160184336-A1 ESTERS OF 2-DEOXY-MONOSACHARIDES WITH ANTI PROLIFERATIVE ACTIVITY DERA, G6PD, HK2 BCHE 1766/4885TNF 3759/4885PTPN1 3318/4885
US-20220023326-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 BCHE 2329/4885TNF 3445/4885PTPN1 2946/4885

“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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