Bromoethane

Bromoethane

SCHEMBL221234

CCBr.O=C(O)C(O)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.50
CYP2D6 P10635 1/20 0.50
HIF1A Q16665 1/20 0.50
KCNN4 O15554 6/20 0.41
PTPN1 P18031 1/20 0.41
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
TRPA1 O75762 1/20 0.38
PLK4 O00444 1/20 0.37
DAPK3 O43293 1/20 0.37
RPS6KA5 O75582 1/20 0.37

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
Bromomethane SCHEMBL208552 0.90 CYP2C9 (0.55) CYP2C9CYP2D6HIF1AKCNN4PTPN1
SCHEMBL71942 0.88 CYP2C9 (0.59) CYP2C9CYP2D6HIF1AKCNN4MAPT
SCHEMBL28905903 0.83 CYP2C9 (0.52) CYP2C9CYP2D6HIF1AKCNN4MAPT
SCHEMBL3227012 0.82 CYP2C9 (0.64) CYP2C9CYP2D6HIF1AKCNN4RAB9A
Bromoethane SCHEMBL3169309 0.81 KCNN4 (0.44) CYP2C9CYP2D6HIF1AKCNN4RAB9A
SCHEMBL4619076 0.79 CYP2C9 (0.55) CYP2C9CYP2D6HIF1AKCNN4RAB9A
SCHEMBL3474350 0.77 CYP2C9 (0.38) CYP2C9CYP2D6HIF1AKCNN4PTPN1
SCHEMBL6785893 0.76 CYP2C9 (0.45) CYP2C9CYP2D6HIF1AKCNN4MAPT
Bromoethane SCHEMBL3813957 0.75 KCNN4 (0.44) CYP2C9CYP2D6HIF1AKCNN4PTPN1
Bromoethane SCHEMBL3813960 0.75 CYP2C9 (0.42) CYP2C9CYP2D6HIF1AKCNN4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652138-B2 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-01-26 US claimed
US-8420666-B2 Pyrazolo (3, 4-B) pyridine derivatives as phosphodiesterase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2013-04-16 US disclosed
EP-2124944-B1 Pyrazolo[3,4-b]pyridine derivatives as phosphodiesterase inhibitors RANBAXY LAB LTD (IN) 2012-02-15 EP disclosed
US-20120004201-A1 PHOSPHODIESTARASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-01-05 US disclosed
EP-2346867-A1 PHOSPHODIESTARASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2011-07-27 EP disclosed
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-06-02 US disclosed
US-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED 2011-01-27 US disclosed
US-20100292196-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-11-18 US disclosed
US-20100272638-A1 RADIOLABELLED MICROPARTICLES, PROCESSES FOR THE PREPARATION THEREOF AND THE USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
WO-2010046791-A1 PHOSPHODIESTARASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-04-29 WO disclosed
EP-1948167-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
WO-2007045980-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed
US-7071706-B2 Measuring device for rapid non-destructive measurement of the contents of capsules BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-07-04 US disclosed
US-20050234134-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-10-20 US disclosed
US-6951888-B2 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-10-04 US disclosed
US-20050154555-A1 Measuring device for rapid non-destructive measurement of the contents of capsules BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 US disclosed
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US disclosed
US-6852728-B2 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-08 US disclosed
US-20040122108-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 US disclosed
US-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-08-29 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 (8 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-20120004201-A1 PHOSPHODIESTARASE INHIBITORS PDE4A, PDE7A, PDE4B CYP2C9 2226/4885CYP2D6 1727/4885HIF1A 2916/4885
US-20100292196-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE4A, PDE3A CYP2C9 781/4885CYP2D6 787/4885HIF1A 2997/4885
US-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them CHRM1, CHRM3, CHRM2 CYP2C9 368/4885CYP2D6 162/4885HIF1A 3172/4885
US-20050234134-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions CHRM1, CHRM2, ADRB1 CYP2C9 297/4885CYP2D6 157/4885HIF1A 1034/4885
US-20040122108-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions ADRA2C, ADRA1D, ADRB1 CYP2C9 453/4885CYP2D6 252/4885HIF1A 1246/4885
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them CHRM1, CHRM3, CHRM2 CYP2C9 162/4885CYP2D6 147/4885HIF1A 3108/4885
US-20110021473-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV PDE4A, PDE4B, PDE4C CYP2C9 644/4885CYP2D6 590/4885HIF1A 2792/4885
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3B, PDE4B CYP2C9 655/4885CYP2D6 689/4885HIF1A 2872/4885

“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.