SCHEMBL1326569

SCHEMBL1326569

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

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CFTR P13569 15/20 0.71
HSPD1 P10809 1/20 0.47
HSPE1 P61604 1/20 0.47
NLRP3 Q96P20 1/20 0.47
DUSP22 Q9NRW4 3/20 0.47
DUSP3 P51452 1/20 0.47

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
SCHEMBL1327046 0.90 CFTR (0.80) CFTRHSPD1HSPE1DUSP22
SCHEMBL1325937 0.89 CFTR (0.67) CFTRNLRP3DUSP22
SCHEMBL1326624 0.83 CFTR (0.67) CFTRNLRP3
SCHEMBL1885081 0.83 CFTR (1.00) CFTRNLRP3DUSP22DUSP3
SCHEMBL1885080 0.83 CFTR (1.00) CFTRNLRP3DUSP22DUSP3
SCHEMBL1326811 0.83 CFTR (1.00) CFTRNLRP3DUSP22DUSP3
SCHEMBL12637113 0.83 CFTR (0.84) CFTRHSPD1HSPE1DUSP22DUSP3
SCHEMBL1326100 0.82 CFTR (0.57) CFTRDUSP3
SCHEMBL1882923 0.81 CFTR (1.00) CFTRNLRP3DUSP22
SCHEMBL919044 0.81 CFTR (1.00) CFTRNLRP3DUSP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-100356922-C Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof UNIV CALIFORNIA (US) 2007-12-26 CN 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
CN-1684686-A Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof UNIV CALIFORNIA (US) 2005-10-19 CN 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

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-20100130571-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF CFTR, TMEM205, TMEM33 CFTR 1/4885HSPD1 1387/4885HSPE1 1808/4885
US-20080064666-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF CFTR, TMEM205, TMEM33 CFTR 1/4885HSPD1 1387/4885HSPE1 1808/4885
US-20040235800-A1 Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof CFTR, TMEM205, TMEM33 CFTR 1/4885HSPD1 1387/4885HSPE1 1808/4885

“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.