SCHEMBL17867806

SCHEMBL17867806

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 3/20 0.43
▸ PDE4D Q08499 2/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ LGALS8 O00214 1/20 0.40
▸ KLK7 P49862 2/20 0.34
▸ KLK5 Q9Y337 2/20 0.34
▸ LGALS3 P17931 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TNF P01375 1/20 0.33

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
SCHEMBL17867722 0.91 TACR2 (0.39) TACR2PDE4DSLC6A2LGALS8TSHR
SCHEMBL17867776 0.85 TACR2 (0.35) TACR2KLK7KLK5TNF
SCHEMBL17867754 0.83 TACR2 (0.38) TACR2PDE4DSLC6A2LGALS8KLK7
SCHEMBL21183343 0.82 TACR2 (0.39) TACR2PDE4DSLC6A2LGALS8TSHR
SCHEMBL16149060 0.82 PDE4D (0.54) TACR2PDE4DSLC6A2LGALS8TSHR
SCHEMBL16149061 0.82 PDE4D (0.54) TACR2PDE4DSLC6A2LGALS8TSHR
SCHEMBL16149062 0.82 PDE4D (0.54) TACR2PDE4DSLC6A2LGALS8TSHR
SCHEMBL17867746 0.80 TACR2 (0.45) TACR2PDE4DBCHE
SCHEMBL17867726 0.76 TACR2 (0.39) TACR2PDE4DSLC6A2TSHRBCHE
SCHEMBL17867749 0.76 SSTR1 (0.41) TACR2PDE4DTSHRBCHEALDH1A1

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 4691/4885PDE4D 2119/4885SLC6A2 1908/4885
US-11925654-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity SLC2A2, SLC2A1, SLC2A4 TACR2 4635/4885PDE4D 2417/4885SLC6A2 1756/4885
US-20190224225-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 TACR2 4635/4885PDE4D 2417/4885SLC6A2 1756/4885
US-11026960-B2 Esters of 2-deoxy-monosaccharides with anti proliferative activity SLC2A2, SLC2A1, SLC2A4 TACR2 4635/4885PDE4D 2417/4885SLC6A2 1756/4885
US-20160184336-A1 ESTERS OF 2-DEOXY-MONOSACHARIDES WITH ANTI PROLIFERATIVE ACTIVITY DERA, G6PD, HK2 TACR2 4691/4885PDE4D 2119/4885SLC6A2 1908/4885
US-20220023326-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 TACR2 4635/4885PDE4D 2417/4885SLC6A2 1756/4885

“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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