SCHEMBL2653057

SCHEMBL2653057

[O]CC(F)(F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PTPN1 P18031 2/20 0.44
DAO P14920 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
CNR1 P21554 1/20 0.39
KCNN4 O15554 1/20 0.38
KIF11 P52732 1/20 0.37
CES1 P23141 2/20 0.37
CYP2C19 P33261 2/20 0.37
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP1A2 P05177 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PTPN5 P54829 1/20 0.35
CYP2C9 P11712 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
SCHEMBL1706355 0.76 TSHR (0.52) TSHRALDH1A1PTPN1DAOCA1
SCHEMBL27565434 0.75 ALDH1A1 (0.46) TSHRALDH1A1PTPN1DAOCA1
SCHEMBL507483 0.74 TSHR (0.50) TSHRALDH1A1PTPN1DAOCA1
SCHEMBL2281974 0.74 TSHR (0.50) TSHRALDH1A1PTPN1DAOCA1
SCHEMBL6988143 0.74 TSHR (0.50) TSHRALDH1A1PTPN1DAOCA1
SCHEMBL10415351 0.74 TSHR (0.50) TSHRALDH1A1PTPN1DAOCA1
SCHEMBL13440 0.74 TSHR (0.50) TSHRALDH1A1PTPN1DAOCA1
SCHEMBL506977 0.74 TAAR1 (0.52) TSHRALDH1A1PTPN1DAOCA1
SCHEMBL6491100 0.73 CYP2C19 (0.57) TSHRALDH1A1PTPN1DAOCA1
SCHEMBL4533282 0.72 TSHR (0.48) TSHRALDH1A1PTPN1KCNN4KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9666904-B2 Secondary battery NEC CORPORATION (JP) 2017-05-30 US disclosed
US-20150194703-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2015-07-09 US disclosed
US-20150037667-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND SECONDARY BATTERY USING SAME NEC CORPORATION (JP) 2015-02-05 US disclosed
US-7709505-B2 Benzofuran derivatives, process for their preparation and intermediates thereof ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-1583532-B1 QUINOLINE DERIVATIVES AS GLUCOKINASE LIGANDS ASTRAZENECA AB (SE) 2008-07-16 EP disclosed
EP-1578745-B1 BENZOFURAN DERIVATivES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF ASTRAZENECA AB (SE) 2007-11-14 EP disclosed
US-7230108-B2 Quinoline derivatives as glucokinase ligands ASTRAZENECA AB (SE) 2007-06-12 US disclosed
US-20060079553-A1 Quinoline derivatives as glucokinase ligands ASTRAZENECA AB (SE) 2006-04-13 US disclosed
US-20060058353-A1 Benzofuran derivatives, process for their preparation and intermediates thereof ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1583532-A1 QUINOLINE DERIVATIVES AS GLUCOKINASE LIGANDS Astrazeneca AB (SE) 2005-10-12 EP disclosed
EP-1578745-A1 BENZOFURAN DERIVATES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF Astrazeneca AB (SE) 2005-09-28 EP disclosed
WO-2004045614-A1 QUINOLINE DERIVATIVES AS GLUCOKINASE LIGANDS ASTRAZENECA AB (SE) 2004-06-03 WO disclosed
WO-2004046139-A1 BENZOFURAN DERIVATES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF ASTRAZENECA AB (SE) 2004-06-03 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 (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-20060058353-A1 Benzofuran derivatives, process for their preparation and intermediates thereof GCK, PDK2, GCKR TSHR 1843/4885ALDH1A1 337/4885PTPN1 3866/4885
US-20060079553-A1 Quinoline derivatives as glucokinase ligands GCK, GCKR, GALK1 TSHR 1247/4885ALDH1A1 1065/4885PTPN1 2823/4885

“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.