SCHEMBL1192985

SCHEMBL1192985

Oc1[c]cc(Br)c(O)c1Br

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AKR1B1 P15121 2/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL1193803 0.79 CA1 (0.40) CA1CA2CA4CA6CYP3A4
SCHEMBL28582635 0.79 CA1 (0.35) CA1CA2CA4CA6CYP3A4
SCHEMBL9144627 0.67 CA1 (0.33) CA1CA2CA4CA6CYP3A4
SCHEMBL320975 0.65
SCHEMBL2325097 0.64 IDO1 (0.35)
SCHEMBL9732647 0.63
SCHEMBL1639523 0.63
SCHEMBL3646664 0.62 ERN1 (0.31)
SCHEMBL17138418 0.62
SCHEMBL1303545 0.62 ACHE (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552067-B2 poly(imino-keto-methylene/amine) derivatives as a bioactive part in conjugates; diarrhea caused by pathogens: Vibrio cholerae, Clostridium difficile, Escherichia coli, Shigella, Salmonella, rotavirus; or enterotoxins: cholera toxin, E. coli toxin, Salmonella toxin THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-08 US claimed
US-20110119775-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 US claimed
US-7888332-B2 Hydrazide-containing CFTR inhibitor compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-02-15 US claimed
EP-2117601-A2 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF The Regents of the University of California (US) 2009-11-18 EP claimed
EP-1740532-A4 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF UNIV CALIFORNIA (US) 2009-06-10 EP claimed
US-7414037-B2 cystic fibrosis transmembrane conductance regulator protein inhibitor; 2-naphthalenylamino-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene][3-[4-(3-(PEG)n-thioureido)diphenyl)-thioureido]propanedioic acid dihydrazide (MalH-(PEG)nB); cystic fibrosis with forms of male infertility, secretory diarrhea THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-08-19 US claimed
US-20080171793-A1 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREFOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-17 US claimed
WO-2008079897-A2 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-03 WO claimed
EP-1740532-A2 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF The Regents of the University of California (US) 2007-01-10 EP claimed
US-20050239740-A1 Hydrazide-containing CFTR inhibitor compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-10-27 US claimed
WO-2005094374-A2 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-10-13 WO claimed
US-8552067-B2 poly(imino-keto-methylene/amine) derivatives as a bioactive part in conjugates; diarrhea caused by pathogens: Vibrio cholerae, Clostridium difficile, Escherichia coli, Shigella, Salmonella, rotavirus; or enterotoxins: cholera toxin, E. coli toxin, Salmonella toxin THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-08 US disclosed
US-20110119775-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 US disclosed
US-7888332-B2 Hydrazide-containing CFTR inhibitor compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-02-15 US disclosed
EP-2117601-A2 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF The Regents of the University of California (US) 2009-11-18 EP disclosed
WO-2008079897-A2 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-03 WO disclosed
CN-1960966-A Hydrazide-containing CFTR inhibitor compounds and uses thereof UNIV CALIFORNIA (US) 2007-05-09 CN disclosed
EP-1740532-A2 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF The Regents of the University of California (US) 2007-01-10 EP disclosed
US-20050239740-A1 Hydrazide-containing CFTR inhibitor compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-10-27 US disclosed
WO-2005094374-A2 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-10-13 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 (3 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-20050239740-A1 Hydrazide-containing CFTR inhibitor compounds and uses thereof CFTR, ABCC5, SLC9A5 CA1 1969/4885CA2 329/4885CA4 815/4885
US-20110119775-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, ABCC5, SLC9A5 CA1 1969/4885CA2 329/4885CA4 815/4885
US-20080171793-A1 MACROMOLECULAR CONJUGATES OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREFOR CFTR, SLC47A1, SLC47A2 CA1 4792/4885CA2 4162/4885CA4 4616/4885

“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.