SCHEMBL17867807

SCHEMBL17867807

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 3/20 0.41
▸ TNF P01375 1/20 0.39
▸ LGALS8 O00214 1/20 0.38
▸ NT5E P21589 1/20 0.38
▸ SSTR1 P30872 1/20 0.36
▸ SSTR2 P30874 1/20 0.36
▸ SSTR4 P31391 1/20 0.36
▸ SSTR3 P32745 1/20 0.36
▸ SSTR5 P35346 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ PTPN1 P18031 3/20 0.36
▸ CDC25B P30305 3/20 0.36
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL16149014 0.93 TACR2 (0.48) TACR2NT5ESSTR1SSTR2SSTR4
SCHEMBL17867740 0.92 TNF (0.42) TACR2TNFLGALS8NT5ESSTR1
SCHEMBL17867754 0.82 TACR2 (0.38) TACR2TNFLGALS8NT5ESSTR1
SCHEMBL17867793 0.81 TNF (0.46) TACR2TNFLGALS8NT5ECA1
SCHEMBL17867760 0.80 SSTR1 (0.40) TACR2TNFNT5ESSTR1SSTR2
SCHEMBL17867726 0.80 TACR2 (0.39) TACR2TNFNT5ESSTR1SSTR2
SCHEMBL17867736 0.80 TNF (0.44) TACR2TNFLGALS8NT5ESSTR1
SCHEMBL16148659 0.79 CHRM1 (0.36) LGALS8MAPK1TDP1
SCHEMBL17867811 0.78 TNF (0.43) TACR2TNFLGALS8NT5ECA1
SCHEMBL17867764 0.75 TACR2 (0.43) TACR2NT5EPTPN1CDC25B

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 TACR2 4691/4885TNF 3759/4885LGALS8 881/4885
US-11925654-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity SLC2A2, SLC2A1, SLC2A4 TACR2 4635/4885TNF 3445/4885LGALS8 1075/4885
US-20190224225-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 TACR2 4635/4885TNF 3445/4885LGALS8 1075/4885
US-11026960-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity SLC2A2, SLC2A1, SLC2A4 TACR2 4635/4885TNF 3445/4885LGALS8 1075/4885
US-20160184336-A1 ESTERS OF 2-DEOXY-MONOSACHARIDES WITH ANTI PROLIFERATIVE ACTIVITY DERA, G6PD, HK2 TACR2 4691/4885TNF 3759/4885LGALS8 881/4885
US-20220023326-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 TACR2 4635/4885TNF 3445/4885LGALS8 1075/4885

“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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