SCHEMBL5195327

SCHEMBL5195327

O=C(O)c1cccc(C(F)(F)F)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ TAS2R14 Q9NYV8 2/20 0.47
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ FABP4 P15090 1/20 0.46
▸ AKR1B1 P15121 1/20 0.44
▸ AKR1C4 P17516 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MPO P05164 1/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ EIF4E P06730 1/20 0.40
▸ GRIK1 P39086 1/20 0.40

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
SCHEMBL1995800 0.83 TDP1 (0.46) TSHRLMNAALDH1A1RORCEPAS1
SCHEMBL9512780 0.82 MAPT (0.43) TSHRTAS2R14LMNAMAPTHTT
SCHEMBL1497989 0.81 TSHR (0.60) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL28634094 0.80 ALDH1A1 (0.38) TSHRLMNAMAPTHTTAKR1B1
SCHEMBL28075340 0.79 EPAS1 (0.51) TSHRTAS2R14LMNAMAPTHTT
SCHEMBL30490414 0.79 TSHR (0.58) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL28171346 0.79 TSHR (0.58) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL27771692 0.79 TSHR (0.58) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL2792217 0.79 GPR35 (0.56) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL3133064 0.79 EIF4E (0.47) TAS2R14LMNAMAPTHTTAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3419609-B1 TREATMENT OF ALKAPTONURIA AND TYROSINEMIA TYPE 1 UNIV DEGLI STUDI DI SIENA (IT) 2023-04-26 — — EP disclosed
EP-3419609-A1 TREATMENT OF ALKAPTONURIA AND TYROSINEMIA TYPE 1 Università degli Studi di Siena (IT) 2019-01-02 — — EP disclosed
WO-2017144583-A1 TREATMENT OF ALKAPTONURIA AND TYROSINEMIA TYPE 1 UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2017-08-31 — — WO disclosed
CN-105712944-A Preparation method of isoxazole compound and isoxazole compound intermediate 浙江省诸暨合力化学对外贸易有限公司 2016-06-29 — — CN disclosed
CN-105646356-A Preparation method of sulfophenyl pyrazolone and intermediate thereof 浙江省诸暨合力化学对外贸易有限公司 2016-06-08 — — CN disclosed
CN-101098852-A Glycogen phosphorylase inhibitor compounds and pharmaceutical compositions thereof SMITHKLINE BEECHAM CORP (US) 2008-01-02 — — CN disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 — — US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 — — EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 — — WO 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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 TSHR 4627/4885TAS2R14 4868/4885LMNA 444/4885

“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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