SCHEMBL1326100

SCHEMBL1326100

O=C1C(=Cc2cc(Br)c(O)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 11/20 0.57
TDP1 Q9NUW8 2/20 0.51
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
MEN1 O00255 6/20 0.47
MAPT P10636 6/20 0.47
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 5/20 0.47
POLB P06746 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
RECQL P46063 1/20 0.47
PSD A5PKW4 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DUSP3 P51452 2/20 0.41
APAF1 O14727 1/20 0.41

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
SCHEMBL1325937 0.90 CFTR (0.67) CFTRTDP1MEN1KMT2A
SCHEMBL1326098 0.83 CFTR (0.81) CFTRTDP1PTPN2PTPN1MEN1
SCHEMBL1326569 0.82 CFTR (0.71) CFTRDUSP3
SCHEMBL1326790 0.80 CFTR (0.69) CFTRTDP1
SCHEMBL1327046 0.77 CFTR (0.80) CFTRTDP1MEN1MAPTKMT2A
SCHEMBL9618992 0.74 DUSP22 (0.54) CFTRMEN1MAPTKMT2AALDH1A1
SCHEMBL1885081 0.73 CFTR (1.00) CFTRMEN1KMT2ADUSP3
SCHEMBL1326811 0.73 CFTR (1.00) CFTRMEN1KMT2ADUSP3
SCHEMBL1885080 0.73 CFTR (1.00) CFTRMEN1KMT2ADUSP3
SCHEMBL919044 0.73 CFTR (1.00) CFTRMEN1MAPTKMT2AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235573-B2 Methods of treating secretory diarrhea using cystic fibrosis transmembrane conductance regulator protein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 US claimed
EP-1549321-A4 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2007-05-23 EP claimed
EP-1549321-A2 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-07-06 EP claimed
US-20040235800-A1 Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-11-25 US claimed
WO-2004028480-A2 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-04-08 WO claimed
US-20040063695-A1 Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2004-04-01 US claimed
US-8058295-B2 Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-15 US disclosed
US-20100130571-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-27 US disclosed
US-7638543-B2 Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-12-29 US disclosed
US-20080064666-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-13 US disclosed
US-7235573-B2 Methods of treating secretory diarrhea using cystic fibrosis transmembrane conductance regulator protein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 US disclosed
EP-1549321-A4 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2007-05-23 EP disclosed
EP-1549321-A2 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-07-06 EP disclosed
US-20040235800-A1 Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-11-25 US disclosed
WO-2004028480-A2 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-04-08 WO disclosed
US-20040063695-A1 Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2004-04-01 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 (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-20100130571-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF CFTR, TMEM205, TMEM33 CFTR 1/4885TDP1 4088/4885PTPN2 170/4885
US-20080064666-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF CFTR, TMEM205, TMEM33 CFTR 1/4885TDP1 4088/4885PTPN2 170/4885
US-20040235800-A1 Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof CFTR, TMEM205, TMEM33 CFTR 1/4885TDP1 4088/4885PTPN2 170/4885
US-20040063695-A1 Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof CFTR, TMEM205, TMEM33 CFTR 1/4885TDP1 4088/4885PTPN2 170/4885

“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.