SCHEMBL1325937

SCHEMBL1325937

O=C1C(=Cc2cc(Br)c(O)c(Br)c2)SC(=S)N1c1ccccc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFTR P13569 14/20 0.67
TDP1 Q9NUW8 1/20 0.46
NLRP3 Q96P20 2/20 0.45
HSD17B3 P37058 2/20 0.45
DUSP22 Q9NRW4 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1326100 0.90 CFTR (0.57) CFTRTDP1MEN1KMT2A
SCHEMBL1326569 0.89 CFTR (0.71) CFTRNLRP3DUSP22
SCHEMBL1327046 0.84 CFTR (0.80) CFTRTDP1DUSP22MEN1KMT2A
SCHEMBL1882013 0.80 CFTR (1.00) CFTRNLRP3MEN1KMT2A
SCHEMBL1882015 0.80 CFTR (1.00) CFTRNLRP3MEN1KMT2A
SCHEMBL1325936 0.80 CFTR (1.00) CFTRNLRP3MEN1KMT2A
SCHEMBL1326811 0.80 CFTR (1.00) CFTRNLRP3DUSP22MEN1KMT2A
SCHEMBL1885081 0.80 CFTR (1.00) CFTRNLRP3DUSP22MEN1KMT2A
SCHEMBL1885080 0.80 CFTR (1.00) CFTRNLRP3DUSP22MEN1KMT2A
SCHEMBL919044 0.80 CFTR (1.00) CFTRNLRP3DUSP22MEN1KMT2A

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 4088/4885NLRP3 444/4885
US-20080064666-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF CFTR, TMEM205, TMEM33 CFTR 1/4885TDP1 4088/4885NLRP3 444/4885
US-20040235800-A1 Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof CFTR, TMEM205, TMEM33 CFTR 1/4885TDP1 4088/4885NLRP3 444/4885
US-20040063695-A1 Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof CFTR, TMEM205, TMEM33 CFTR 1/4885TDP1 4088/4885NLRP3 444/4885

“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.