SCHEMBL14769891

SCHEMBL14769891

C[C@@]1(F)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)O[C@@H]1Br

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ ABCB1 P08183 8/20 0.39
▸ TSHR P16473 4/20 0.39
▸ BCHE P06276 1/20 0.39
▸ PTGES2 Q9H7Z7 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ SLC43A1 O75387 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL28502618 1.00 GAA (0.43) GAAABCB1TSHRBCHEPTGES2
SCHEMBL28499108 0.92 BCHE (0.40) GAAABCB1TSHRBCHEPTGES2
SCHEMBL14769887 0.86 GAA (0.43) GAAABCB1TSHRBCHEPTGES2
SCHEMBL28336618 0.86 GAA (0.43) GAAABCB1TSHRBCHEPTGES2
SCHEMBL28403240 0.85 GAA (0.42) GAAABCB1TSHRBCHEPTGES2
SCHEMBL14769874 0.83 GAA (0.40) GAAABCB1TSHRBCHEKMT2A
SCHEMBL28412125 0.83 ABCB1 (0.44) GAAABCB1TSHRKMT2ASLC43A1
SCHEMBL28716091 0.81 NPC1 (0.40) GAAABCB1BCHEKMT2AMEN1
SCHEMBL24371811 0.81 ALDH1A1 (0.50) GAAKMT2AMEN1ALDH1A1TDP1
SCHEMBL16576338 0.81 ALDH1A1 (0.50) GAAKMT2AMEN1ALDH1A1TDP1

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-9403863-B2 Substituted carbonyloxymethylphosphoramidate compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS LLC (US) 2016-08-02 — — US disclosed
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-8951985-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. (US) 2015-02-10 — — US disclosed
US-8951985-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. (US) 2015-02-10 — — US disclosed
US-20130064793-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2013-03-14 — — US disclosed
US-20130064793-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2013-03-14 — — 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
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 (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-20130064793-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS HAVCR2, PYGL, EIF2AK2 GAA 77/4885ABCB1 1029/4885TSHR 4825/4885
US-20130064794-A1 Substituted Carbonyloxymethylphosphoramidate Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections PYGL, HAVCR2, PNP GAA 141/4885ABCB1 2216/4885TSHR 4776/4885

“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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