SCHEMBL1326565

SCHEMBL1326565

O=C1C(=Cc2cc(O)c(O)c(O)c2)SC(=S)N1c1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CFTR P13569 16/20 1.00
NLRP3 Q96P20 4/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71

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
SCHEMBL1878683 1.00 CFTR (1.00) CFTRNLRP3MEN1KMT2A
SCHEMBL1878685 1.00 CFTR (1.00) CFTRNLRP3MEN1KMT2A
SCHEMBL12637115 0.92 CFTR (0.84) CFTRNLRP3MEN1KMT2A
SCHEMBL8002983 0.90 CFTR (0.82) CFTRNLRP3MEN1KMT2A
SCHEMBL1327044 0.90 CFTR (0.82) CFTRNLRP3MEN1KMT2A
SCHEMBL1882015 0.89 CFTR (1.00) CFTRNLRP3MEN1KMT2A
SCHEMBL1325936 0.89 CFTR (1.00) CFTRNLRP3MEN1KMT2A
SCHEMBL1882013 0.89 CFTR (1.00) CFTRNLRP3MEN1KMT2A
SCHEMBL1881090 0.88 CFTR (1.00) CFTRNLRP3MEN1KMT2A
SCHEMBL1881092 0.88 CFTR (1.00) CFTRNLRP3MEN1KMT2A

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 10 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-20110105565-A1 WATER SOLUBLE SMALL MOLECULE INHIBITORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-05 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

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 1/4885NLRP3 444/4885MEN1 4413/4885
US-20080064666-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF CFTR, TMEM205, TMEM33 CFTR 1/4885NLRP3 444/4885MEN1 4413/4885
US-20040235800-A1 Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof CFTR, TMEM205, TMEM33 CFTR 1/4885NLRP3 444/4885MEN1 4413/4885
US-20110105565-A1 WATER SOLUBLE SMALL MOLECULE INHIBITORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, PKD1, PKD2 CFTR 1/4885NLRP3 852/4885MEN1 2136/4885

“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.