SCHEMBL14769874

SCHEMBL14769874

CC[C@H]1O[C@H](Br)[C@](C)(F)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LGALS9 O00182 1/20 0.38
▸ LGALS1 P09382 1/20 0.38
▸ LGALS3 P17931 1/20 0.38
▸ LGALS7; LGALS7B P47929 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ABCB1 P08183 7/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ BCHE P06276 2/20 0.34
▸ SLC43A1 O75387 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
SCHEMBL18510829 0.90 LGALS9 (0.38) GAAALDH1A1LGALS9LGALS1LGALS3
SCHEMBL16576338 0.88 ALDH1A1 (0.50) GAAALDH1A1LMNAKMT2AMAPT
SCHEMBL15304485 0.88 ALDH1A1 (0.50) GAAALDH1A1LMNAKMT2AMAPT
SCHEMBL12482663 0.88 ALDH1A1 (0.50) GAAALDH1A1LMNAKMT2AMAPT
SCHEMBL930473 0.88 ALDH1A1 (0.50) GAAALDH1A1LMNAKMT2AMAPT
SCHEMBL24371811 0.88 ALDH1A1 (0.50) GAAALDH1A1LMNAKMT2AMAPT
SCHEMBL13021363 0.88 ALDH1A1 (0.50) GAAALDH1A1LMNAKMT2AMAPT
SCHEMBL14769876 0.87 LMNA (0.40) GAAALDH1A1LGALS9LGALS1LGALS3
SCHEMBL14172902 0.87 GAA (0.40) GAAALDH1A1LGALS9LGALS1LGALS3
SCHEMBL17403981 0.86 GAA (0.39) GAAALDH1A1LGALS9LGALS1LGALS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403863-B2 Substituted carbonyloxymethylphosphoramidate compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS LLC (US) 2016-08-02 — — US disclosed
US-20130064794-A1 Substituted Carbonyloxymethylphosphoramidate Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections IDENIX PHARMACEUTICALS, INC. (US) 2013-03-14 — — 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 (1 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-20130064794-A1 Substituted Carbonyloxymethylphosphoramidate Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections PYGL, HAVCR2, PNP GAA 141/4885ALDH1A1 1186/4885LGALS9 2895/4885

“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.

Send feedback