SCHEMBL6840474

SCHEMBL6840474

ClCO[C@@H](CCl)COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
CA1 P00915 4/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
TACR1 P25103 6/20 0.45
MAPK1 P28482 1/20 0.41
SLC1A1 P43005 1/20 0.40
KMT2A Q03164 1/20 0.38
HTT P42858 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
SCHEMBL14125272 1.00 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL4088276 0.93 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL10581265 0.82 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL9845277 0.82 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL4535810 0.79 TSHR (0.58) TSHRCA1CA2CA7CA9
SCHEMBL9747874 0.79 PLA2G10 (0.47)
SCHEMBL8374297 0.79 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL10475492 0.79 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL8376718 0.79 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL14125262 0.78 ALDH1A1 (0.51) CA1CA2CA7CA9SLC1A1

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 TSHR 4834/4885CA1 4809/4885CA2 4527/4885
US-20040102462-A1 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl) methoxy-1,3-propanediol derivative DPP7, PURB, EIF2AK2 TSHR 4834/4885CA1 4809/4885CA2 4527/4885

“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.