SCHEMBL17867722

SCHEMBL17867722

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 3/20 0.39
▸ TNF P01375 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ NT5E P21589 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PDE4D Q08499 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SSTR1 P30872 1/20 0.34
▸ SSTR2 P30874 1/20 0.34
▸ SSTR4 P31391 1/20 0.34
▸ SSTR3 P32745 1/20 0.34
▸ SSTR5 P35346 1/20 0.34
▸ GJB2 P29033 2/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ CDC25B P30305 1/20 0.34
▸ LGALS8 O00214 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
SCHEMBL17867754 0.92 TACR2 (0.38) TACR2TNFLMNANT5ETSHR
SCHEMBL17867806 0.91 TACR2 (0.43) TACR2TNFTSHRALDH1A1MAPK1
SCHEMBL17867776 0.88 TACR2 (0.35) TACR2TNFNT5EPTPN1CDC25B
SCHEMBL17867726 0.86 TACR2 (0.39) TACR2TNFLMNANT5ETSHR
SCHEMBL17867749 0.86 SSTR1 (0.41) TACR2TNFLMNANT5ETSHR
SCHEMBL17867746 0.83 TACR2 (0.45) TACR2NT5EPDE4DSSTR1SSTR2
SCHEMBL17867753 0.82 TNF (0.41) TACR2TNFLMNANT5ETSHR
SCHEMBL17867752 0.82 TNF (0.41) TACR2TNFLMNANT5ETSHR
SCHEMBL17867740 0.81 TNF (0.42) TACR2TNFNT5ETSHRCYP2D6
SCHEMBL17867795 0.81 TNF (0.39) TACR2TNFLMNANT5ETSHR

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 3759/4885LMNA 3658/4885
US-11925654-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity SLC2A2, SLC2A1, SLC2A4 TACR2 4635/4885TNF 3445/4885LMNA 4028/4885
US-20190224225-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 TACR2 4635/4885TNF 3445/4885LMNA 4028/4885
US-11026960-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity SLC2A2, SLC2A1, SLC2A4 TACR2 4635/4885TNF 3445/4885LMNA 4028/4885
US-20160184336-A1 ESTERS OF 2-DEOXY-MONOSACHARIDES WITH ANTI PROLIFERATIVE ACTIVITY DERA, G6PD, HK2 TACR2 4691/4885TNF 3759/4885LMNA 3658/4885
US-20220023326-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 TACR2 4635/4885TNF 3445/4885LMNA 4028/4885

“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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