SCHEMBL897655

SCHEMBL897655

O=C(O)c1cc(-c2ccc(Br)cc2)oc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
EPRS1 P07814 1/20 0.43
MCHR1 Q99705 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
PRNP P04156 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
KDM1A O60341 1/20 0.39

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
SCHEMBL3054689 0.87 MCHR1 (0.42) PTPN1NPC1RAB9AEPRS1MCHR1
SCHEMBL14050010 0.86 ALDH1A1 (0.51) PTPN1NPC1RAB9AMCHR1ALDH1A1
SCHEMBL5860864 0.86 FFAR1 (0.46) NPC1RAB9AMCHR1ALDH1A1KDM4E
SCHEMBL595184 0.86 ALDH1A1 (0.54) NPC1RAB9AMCHR1ALDH1A1KDM4E
SCHEMBL2063655 0.85 NPC1 (0.61) NPC1RAB9AMCHR1ALDH1A1KDM4E
SCHEMBL898489 0.81 MAPT (0.52) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL14927274 0.78 DGAT1 (0.46) MCHR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL899044 0.78 TMPRSS4 (0.57) KDM4ERXFP1MAPTDGAT1MEN1
SCHEMBL7735082 0.78 PDE4A (0.53) PTPN1NPC1RAB9AALDH1A1KDM4E
SCHEMBL14927269 0.77 SCN10A (0.48) MCHR1ALDH1A1KDM4EHPGDLMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102137851-B Compound as vanilloid receptor antagonist, isomer thereof or pharmaceutically acceptable salt thereof, and pharmaceutical composition comprising same AMOREPACIFIC CORP 2014-08-27 CN claimed
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP claimed
CN-102137851-A Novel compounds as vanilloid receptor antagonists, isomers thereof or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same AMOREPACIFIC CORP 2011-07-27 CN claimed
EP-2576532-B1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX LLC (US) 2018-07-18 EP disclosed
US-9663483-B2 Furanyl compounds and the use thereof NOVOMEDIX, LLC (US) 2017-05-30 US disclosed
US-20160024040-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC 2016-01-28 US disclosed
CN-103108868-B Furyl compounds and uses thereof NOVOMEDIX, LLC (US) 2015-11-25 CN disclosed
US-9149527-B2 Furanyl compounds and the use thereof NOVOMEDIX, LLC (US) 2015-10-06 US disclosed
CN-104860907-A Furanyl compounds and the use thereof NOVOMEDIX LLC 2015-08-26 CN disclosed
US-20140309297-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2014-10-16 US disclosed
CN-102137851-B Compound as vanilloid receptor antagonist, isomer thereof or pharmaceutically acceptable salt thereof, and pharmaceutical composition comprising same AMOREPACIFIC CORP 2014-08-27 CN disclosed
US-20130116317-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2013-05-09 US disclosed
EP-2576532-A1 FURANYL COMPOUNDS AND THE USE THEREOF Novomedix, LLC (US) 2013-04-10 EP disclosed
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed
WO-2011156321-A9 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2012-04-05 WO disclosed
WO-2011156321-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2011-12-15 WO disclosed
CN-102137851-A Novel compounds as vanilloid receptor antagonists, isomers thereof or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same AMOREPACIFIC CORP 2011-07-27 CN disclosed
US-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-06-23 US disclosed
EP-2307394-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2011-04-13 EP disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 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 (4 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-20130116317-A1 FURANYL COMPOUNDS AND THE USE THEREOF EIF4EBP1, EIF4E, EIF4A1 PTPN1 2340/4885NPC1 3688/4885RAB9A 664/4885
US-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 PTPN1 1503/4885NPC1 1037/4885RAB9A 1477/4885
US-20160024040-A1 FURANYL COMPOUNDS AND THE USE THEREOF EIF4EBP1, EIF4E, GLI1 PTPN1 2255/4885NPC1 3776/4885RAB9A 609/4885
US-20140309297-A1 FURANYL COMPOUNDS AND THE USE THEREOF EIF4EBP1, EIF4E, GLI1 PTPN1 2255/4885NPC1 3776/4885RAB9A 609/4885

“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.