SCHEMBL6840164

SCHEMBL6840164

CC(=O)OCO[C@@H](CCl)COCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
SLC1A1 P43005 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CTSS P25774 2/20 0.38
CTSL P07711 1/20 0.38
CTSK P43235 1/20 0.38
TBXAS1 P24557 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FOLH1 Q04609 1/20 0.37

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
SCHEMBL14125262 1.00 ALDH1A1 (0.51) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL3413225 0.92 ALDH1A1 (0.57) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL6378583 0.89 ALDH1A1 (0.54) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL6378879 0.88 APOBEC3A (0.40) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL9191601 0.86 ALDH1A1 (0.51) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL9019803 0.85 ALDH1A1 (0.50) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL9197596 0.83 ALDH1A1 (0.54) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL2437269 0.83 ALDH1A1 (0.54) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL11249744 0.83 ALDH1A1 (0.49) ALDH1A1SLC1A1CA1CA2CA7
SCHEMBL9207169 0.83 ALDH1A1 (0.49) ALDH1A1SLC1A1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102462-A1 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl) methoxy-1,3-propanediol derivative NESTOR JOHN J (US) 2004-05-27 US disclosed
US-20020042424-A1 2- (2-amino-1, 6-dihydro-6 -oxo-purin-9 -yl) methoxy-1, 3 -propanediol derivative ROCHE PALO ALTO LLC 2002-04-11 US disclosed
US-6083953-A Treating herpes simplex virus or cytomegalovirus infections; valganciclovir hydrochloride in crystalline form; antiviral; oral administration SYNTEX (U.S.A.) INC. (US) 2000-07-04 US disclosed
EP-0694547-B1 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl)methoxy-1,3-propanediol derivatives HOFFMANN LA ROCHE (CH) 1999-04-21 EP disclosed
US-5856481-A Synthesis of antiviral agent valganciclovir (2-(2-amino-1,6-dihydro6-oxo-purin-9-yl)methoxy-3-hydroxy-1-propanyl-L-valinate) or salts via deprotection and salt formation SYNTEX (U.S.A.) INC. (US) 1999-01-05 US disclosed
US-5840891-A VIRICIDES WITH IMPROVED ABSORPTION SYNTEX (U.S.A.) INC. (US) 1998-11-24 US disclosed
US-5543414-A VIRICIDES SYNTEX (USA) INC. (US) 1996-08-06 US disclosed
EP-0694547-A2 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl)methoxy-1,3-propanediol derivative F. Hoffmann-La Roche AG (CH) 1996-01-31 EP 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 (2 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-20020042424-A1 2- (2-amino-1, 6-dihydro-6 -oxo-purin-9 -yl) methoxy-1, 3 -propanediol derivative DPP7, PURB, EIF2AK2 ALDH1A1 919/4885SLC1A1 1029/4885CA1 4809/4885
US-20040102462-A1 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl) methoxy-1,3-propanediol derivative DPP7, PURB, EIF2AK2 ALDH1A1 919/4885SLC1A1 1029/4885CA1 4809/4885

“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.