SCHEMBL1111137

SCHEMBL1111137

O=C1CSC(=S)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.68
MEN1 O00255 10/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
GAA P10253 6/20 0.65
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.55
POLB P06746 1/20 0.54
RECQL P46063 2/20 0.52
HSD17B10 Q99714 1/20 0.52
AR P10275 1/20 0.50
CFTR P13569 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL1325897 0.82 KMT2A (0.69) KMT2AMEN1L3MBTL1GAAALDH1A1
SCHEMBL1421163 0.81 KMT2A (1.00) KMT2AMEN1L3MBTL1GAAALDH1A1
SCHEMBL948141 0.79 MEN1 (0.47) KMT2AMEN1L3MBTL1GAAALDH1A1
SCHEMBL948142 0.79 MEN1 (0.47) KMT2AMEN1L3MBTL1GAAALDH1A1
SCHEMBL11118610 0.79 KMT2A (0.72) KMT2AMEN1L3MBTL1GAAALDH1A1
SCHEMBL8206174 0.78 KMT2A (1.00) KMT2AMEN1L3MBTL1GAAALDH1A1
SCHEMBL11118190 0.77 KMT2A (0.68) KMT2AMEN1L3MBTL1GAAALDH1A1
SCHEMBL181796 0.76 KMT2A (0.69) KMT2AMEN1L3MBTL1GAAALDH1A1
SCHEMBL3041005 0.75 KMT2A (1.00) KMT2AMEN1L3MBTL1GAAALDH1A1
SCHEMBL12726822 0.75 KMT2A (0.69) KMT2AMEN1L3MBTL1GAAALDH1A1

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-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
EP-2279029-A2 WATER SOLUBLE SMALL MOLECULE INHIBITORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR The Regents of the University of California (US) 2011-02-02 EP 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-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-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
WO-2009120803-A2 WATER SOLUBLE SMALL MOLECULE INHIBITORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-10-01 WO 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-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
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 KMT2A 4563/4885MEN1 4413/4885L3MBTL1 3282/4885
US-20080064666-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN INHIBITORS AND USES THEREOF CFTR, TMEM205, TMEM33 KMT2A 4563/4885MEN1 4413/4885L3MBTL1 3282/4885
US-20040235800-A1 Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof CFTR, TMEM205, TMEM33 KMT2A 4563/4885MEN1 4413/4885L3MBTL1 3282/4885
US-20110105565-A1 WATER SOLUBLE SMALL MOLECULE INHIBITORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, PKD1, PKD2 KMT2A 4437/4885MEN1 2136/4885L3MBTL1 3786/4885

“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.